(3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯
TL;DR: (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 (CAS 17736-20-8) is a chemical compound with molecular formula C23H34O6 and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯
[2-(3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 3,17-dihydroxy-11,20-dioxopregnan-21-yl acetate, A-Pregnan-3, A,17,21-triol-11,20-dione 21-acetate, (3alpha)-3,17-dihydroxy-11,20-dioxopregnan-21-yl acetate, 5.beta.-Pregnan-3.alpha.,17.alpha.,21-triol-11,20-dione 21-acetate
| Molecular Formula | C23H34O6 |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.23553 |
| Heavy Atoms | 29 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 17736-20-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)O |
| InChIKey | MULICLCRGFYQJF-UHFFFAOYSA-N |
Product Overview
(3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 (CAS 17736-20-8), with molecular formula C23H34O6 and molecular weight 406.24 g/mol. IUPAC: [2-(3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯
Property Insights of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯. Following Lipinski's Rule of Five, (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 has 2 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 (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯?
The CAS number of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 is 17736-20-8.
What is the molecular formula of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯?
The molecular formula of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 is C23H34O6.
What is the molecular weight of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯?
The molecular weight of (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 is 406.24 g/mol.
Where can I buy (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯?
You can request a quote for (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for (3α)-3,17-二羟基-11,20-二氧代孕甾-21-基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.