Estr-5(10)-ene-3,17-dione
TL;DR: Estr-5(10)-ene-3,17-dione (CAS 3962-66-1) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: Estr-5(10)-ene-3,17-dione, 19-Norandrost-5(10)-ene-3,17-dione, Progesterone Impurity 32, Progesterone Impurity 37, Oestr-5(10)-ene-3,17-dione
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 3962-66-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4 |
| InChIKey | RORYLAUXKSWMQL-CBZIJGRNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estr-5(10)-ene-3,17-dione (CAS 3962-66-1), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of Estr-5(10)-ene-3,17-dione
Property Insights of Estr-5(10)-ene-3,17-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estr-5(10)-ene-3,17-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Estr-5(10)-ene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estr-5(10)-ene-3,17-dione has 0 hydrogen bond donor(s) and 2 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 Estr-5(10)-ene-3,17-dione?
The CAS number of Estr-5(10)-ene-3,17-dione is 3962-66-1.
What is the molecular formula of Estr-5(10)-ene-3,17-dione?
The molecular formula of Estr-5(10)-ene-3,17-dione is C18H24O2.
What is the molecular weight of Estr-5(10)-ene-3,17-dione?
The molecular weight of Estr-5(10)-ene-3,17-dione is 272.18 g/mol.
Where can I buy Estr-5(10)-ene-3,17-dione?
You can request a quote for Estr-5(10)-ene-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estr-5(10)-ene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for Estr-5(10)-ene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.