3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate
TL;DR: 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate (CAS 7233-35-4) is a chemical compound with molecular formula C29H44O6 and molecular weight 488.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(2,3-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] acetate
Also Known As: 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate, [17-(2,3-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] acetate
| Molecular Formula | C29H44O6 |
|---|---|
| Molecular Weight | 488.31 g/mol |
| LogP | 4.1151 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.31378 |
| Heavy Atoms | 35 |
| Complexity | 931.4565 |
Chemical Identifiers
| CAS Number | 7233-35-4 |
|---|---|
| SMILES | CC(C)CCC(C(C)(C1CCC2C1(CCC3C2=CC(=O)C4=CC(C(CC34C)OC(=O)C)O)C)O)O |
Product Overview
3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate (CAS 7233-35-4), with molecular formula C29H44O6 and molecular weight 488.31 g/mol. IUPAC: [17-(2,3-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] acetate.
Chemical Property Profile of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate
Property Insights of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate
The XLogP value of 4.1151 indicates that 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate. Following Lipinski's Rule of Five, 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate?
The CAS number of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate is 7233-35-4.
What is the molecular formula of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate?
The molecular formula of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate is C29H44O6.
What is the molecular weight of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate?
The molecular weight of 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate is 488.31 g/mol.
Where can I buy 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate?
You can request a quote for 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,20,22-Trihydroxy-6-oxocholesta-4,7-dien-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.