Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-
TL;DR: Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- (CAS 144082-89-3) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-2,3-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 2,3-Dioxoestra-1(10),4-dien-17-yl acetate, Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-, 2,3-Dioxoestra-1(10),4-dien-17beta-yl acetate, [(8R,9S,13S,14S,17S)-13-methyl-2,3-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 144082-89-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C(=O)C=C34)C |
| InChIKey | BEXUBTUAAHHKEH-BKRJIHRRSA-N |
Product Overview
Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- (CAS 144082-89-3), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-2,3-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-
Property Insights of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-. Following Lipinski's Rule of Five, Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- 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 Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-?
The CAS number of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- is 144082-89-3.
What is the molecular formula of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-?
The molecular formula of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- is C20H24O4.
What is the molecular weight of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-?
The molecular weight of Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- is 328.17 g/mol.
Where can I buy Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-?
You can request a quote for Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),4-diene-2,3-dione, 17-(acetyloxy)-, (17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.