2,16-Diacetylcucurbitacine(1)
TL;DR: 2,16-Diacetylcucurbitacine(1) (CAS 26260-20-8) is a chemical compound with molecular formula C34H46O9 and molecular weight 598.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate
Also Known As: 2,16-Diacetylcucurbitacine(1), Diacetyl-2,16 cucurbitacine (I), Diacetyl-2,16 cucurbitacine I, 4-08-00-03731 (Beilstein Handbook Reference), 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-, 2,16-diacetate
| Molecular Formula | C34H46O9 |
|---|---|
| Molecular Weight | 598.31 g/mol |
| LogP | 4.1953 |
| Topological Polar Surface Area | 144.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 598.3142 |
| Heavy Atoms | 43 |
| Complexity | 1372.008 |
Chemical Identifiers
| CAS Number | 26260-20-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)O)O)C)C)C=C(C(=O)C4(C)C)OC(=O)C)C |
Product Overview
2,16-Diacetylcucurbitacine(1) (CAS 26260-20-8), with molecular formula C34H46O9 and molecular weight 598.31 g/mol. IUPAC: [(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 2,16-Diacetylcucurbitacine(1)
Property Insights of 2,16-Diacetylcucurbitacine(1)
The XLogP value of 4.1953 indicates that 2,16-Diacetylcucurbitacine(1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.27 Ų indicates high polarity, suggesting 2,16-Diacetylcucurbitacine(1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,16-Diacetylcucurbitacine(1) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,16-Diacetylcucurbitacine(1)?
The CAS number of 2,16-Diacetylcucurbitacine(1) is 26260-20-8.
What is the molecular formula of 2,16-Diacetylcucurbitacine(1)?
The molecular formula of 2,16-Diacetylcucurbitacine(1) is C34H46O9.
What is the molecular weight of 2,16-Diacetylcucurbitacine(1)?
The molecular weight of 2,16-Diacetylcucurbitacine(1) is 598.31 g/mol.
Where can I buy 2,16-Diacetylcucurbitacine(1)?
You can request a quote for 2,16-Diacetylcucurbitacine(1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,16-Diacetylcucurbitacine(1)?
Yes, KEHONG BIO provides custom synthesis services for 2,16-Diacetylcucurbitacine(1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.