![[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate structure](/static/products/1261/126145-77-5.webp)
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate
TL;DR: [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate (CAS 126145-77-5) is a chemical compound with molecular formula C67H99N3O18 and molecular weight 1233.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate
Also Known As: [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate|Piperidine, 1-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-|(2R,3R,4S,5S,6S)-2-(((2S,3R,4S,5S,6S)-4,5-diacetoxy-6-(heptadecylcarbamoyl)-2-(((3S,6aR,6bS,8aS,11S,14bS)-11-(heptadecylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(heptadecylcarbamoyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
| Molecular Formula | C67H99N3O18 |
|---|---|
| Molecular Weight | 1233.69 g/mol |
| LogP | 7.8833 |
| Topological Polar Surface Area | 246.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 1233.6924 |
| Heavy Atoms | 88 |
| Complexity | 2751.0256 |
Chemical Identifiers
| CAS Number | 126145-77-5 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)N2CCCCC2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)N9CCCCC9)C)C)C)C)C(=O)N1CCCCC1)OC(=O)C)OC(=O)C |
Product Overview
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate (CAS 126145-77-5), with molecular formula C67H99N3O18 and molecular weight 1233.69 g/mol. IUPAC: [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate.
Chemical Property Profile of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate
Property Insights of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate
The XLogP value of 7.8833 indicates that [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.42 Ų indicates high polarity, suggesting [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate?
The CAS number of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate is 126145-77-5.
What is the molecular formula of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate?
The molecular formula of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate is C67H99N3O18.
What is the molecular weight of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate?
The molecular weight of [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate is 1233.69 g/mol.
Where can I buy [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate?
You can request a quote for [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(piperidine-1-carbonyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(piperidine-1-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(piperidine-1-carbonyl)oxan-4-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.