17beta-Hydroxyestra-5(10),9(11)-dien-3-one
TL;DR: 17beta-Hydroxyestra-5(10),9(11)-dien-3-one (CAS 5218-51-9) 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.
(8S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Dienogest Impurity 13, 17beta-Hydroxyestra-5(10),9(11)-dien-3-one, Cid 151259, 17-Hydroxyestra-5(10),9(11)-dien-3-one, (17beta)-17-Hydroxyestra-5(10),9(11)-dien-3-one
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 5218-51-9 |
|---|---|
| SMILES | C[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC(=O)C4 |
| InChIKey | YQTRUFSEOHTFSE-OWSLCNJRSA-N |
Product Overview
17beta-Hydroxyestra-5(10),9(11)-dien-3-one (CAS 5218-51-9), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (8S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one
Property Insights of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17beta-Hydroxyestra-5(10),9(11)-dien-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 17beta-Hydroxyestra-5(10),9(11)-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Hydroxyestra-5(10),9(11)-dien-3-one has 1 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 17beta-Hydroxyestra-5(10),9(11)-dien-3-one?
The CAS number of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one is 5218-51-9.
What is the molecular formula of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one?
The molecular formula of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one is C18H24O2.
What is the molecular weight of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one?
The molecular weight of 17beta-Hydroxyestra-5(10),9(11)-dien-3-one is 272.18 g/mol.
Where can I buy 17beta-Hydroxyestra-5(10),9(11)-dien-3-one?
You can request a quote for 17beta-Hydroxyestra-5(10),9(11)-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Hydroxyestra-5(10),9(11)-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Hydroxyestra-5(10),9(11)-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.