二乙酸美雄醇
TL;DR: 二乙酸美雄醇 (CAS 2061-86-1) is a chemical compound with molecular formula C24H36O4 and molecular weight 388.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙酸美雄醇
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Methandriol diacetate, METHANDRIOL DIACETATE [MI], 17-methylandrost-5-ene-dioldiacetate, 17-Methylandrost-5-ene-(3beta,17beta)-diol diacetate, A.17
| Molecular Formula | C24H36O4 |
|---|---|
| Molecular Weight | 388.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.26135 |
| Heavy Atoms | 28 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 2061-86-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]4(C)OC(=O)C)C)C |
| InChIKey | HHCVPHSEENQSLU-IWMXCVPLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙酸美雄醇 (CAS 2061-86-1), with molecular formula C24H36O4 and molecular weight 388.26 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 二乙酸美雄醇
Property Insights of 二乙酸美雄醇
The XLogP value of 4.7 indicates that 二乙酸美雄醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 二乙酸美雄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙酸美雄醇 has 0 hydrogen bond donor(s) and 4 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 二乙酸美雄醇?
The CAS number of 二乙酸美雄醇 is 2061-86-1.
What is the molecular formula of 二乙酸美雄醇?
The molecular formula of 二乙酸美雄醇 is C24H36O4.
What is the molecular weight of 二乙酸美雄醇?
The molecular weight of 二乙酸美雄醇 is 388.26 g/mol.
Where can I buy 二乙酸美雄醇?
You can request a quote for 二乙酸美雄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙酸美雄醇?
Yes, KEHONG BIO provides custom synthesis services for 二乙酸美雄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.