![[9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate structure](/static/products/7505/7505-26-2.webp)
[9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
TL;DR: [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate (CAS 7505-26-2) is a chemical compound with molecular formula C33H49NO6 and molecular weight 555.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
Also Known As: [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate|28-Acetyl-11-oxo-16,17-didehydro-5,6,12,13-tetrahydroveratraman-3,23-diyl diacetate
| Molecular Formula | C33H49NO6 |
|---|---|
| Molecular Weight | 555.36 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.356 |
| Heavy Atoms | 40 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 7505-26-2 |
|---|---|
| SMILES | CC1CC(C(N(C1)C(=O)C)C(C)C2=CCC3C4CCC5CC(CCC5(C4C(=O)C3C2C)C)OC(=O)C)OC(=O)C |
| InChIKey | KYYMYYDOAKYDQR-UHFFFAOYSA-N |
Product Overview
[9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate (CAS 7505-26-2), with molecular formula C33H49NO6 and molecular weight 555.36 g/mol. IUPAC: [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate.
Chemical Property Profile of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
Property Insights of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
The XLogP value of 4.9 indicates that [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate. Following Lipinski's Rule of Five, [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate?
The CAS number of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate is 7505-26-2.
What is the molecular formula of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate?
The molecular formula of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate is C33H49NO6.
What is the molecular weight of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate?
The molecular weight of [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate is 555.36 g/mol.
Where can I buy [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate?
You can request a quote for [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.