17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione
TL;DR: 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione (CAS 144082-87-1) 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-3,4-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Estrone-3,4-quinone, 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione, 3,4-Dioxoestra-1,5(10)-dien-17-yl acetate, 3,4-Dioxoestra-1,5(10)-dien-17beta-yl acetate, Estra-1,5(10)-diene-3,4-dione, 17-(acetyloxy)-, (17beta)-
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 2.8 |
| 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 | 144082-87-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=O)C4=O)C |
| InChIKey | UPVDUXQHUURQJD-XQRBHQRSSA-N |
Product Overview
17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione (CAS 144082-87-1), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-3,4-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione
Property Insights of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione. Following Lipinski's Rule of Five, 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione 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 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione?
The CAS number of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione is 144082-87-1.
What is the molecular formula of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione?
The molecular formula of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione is C20H24O4.
What is the molecular weight of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione?
The molecular weight of 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione is 328.17 g/mol.
Where can I buy 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione?
You can request a quote for 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 17beta-(Acetyloxy)estra-1,5(10)-diene-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.