地诺孕素
TL;DR: 地诺孕素 (CAS 65928-58-7) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地诺孕素
2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Also Known As: Dienogest, Dienogestrel, Dienogestril, Dienogestum, Endometrion
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 679.0 |
| Melting Point | 210-218 |
| Solubility | Practically insoluble |
Chemical Identifiers
| CAS Number | 65928-58-7 |
|---|---|
| SMILES | C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O |
| InChIKey | AZFLJNIPTRTECV-FUMNGEBKSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地诺孕素 (CAS 65928-58-7), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile.
Chemical Property Profile of 地诺孕素
Property Insights of 地诺孕素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地诺孕素. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 地诺孕素. Following Lipinski's Rule of Five, 地诺孕素 has 1 hydrogen bond donor(s) and 3 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 地诺孕素?
The CAS number of 地诺孕素 is 65928-58-7.
What is the molecular formula of 地诺孕素?
The molecular formula of 地诺孕素 is C20H25NO2.
What is the molecular weight of 地诺孕素?
The molecular weight of 地诺孕素 is 311.19 g/mol.
Where can I buy 地诺孕素?
You can request a quote for 地诺孕素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地诺孕素?
Yes, KEHONG BIO provides custom synthesis services for 地诺孕素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.