9-Hydroxyestrone-11-nitrate
TL;DR: 9-Hydroxyestrone-11-nitrate (CAS 105801-89-6) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate
Also Known As: 9-Hydroxy-11-nitroxyestrone, 9-Hydroxyestrone-11-nitrate, 9alpha-Hydroxyestrone-11beta-nitrate, 3,9-Dihydroxy-11-(nitrooxy)estra-1,3,5(10)-trien-17-one (11beta)-, [(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 105801-89-6 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O)O)O[N+](=O)[O-] |
| InChIKey | QKNRTYSNSQAVCD-UCBYDFOTSA-N |
Product Overview
9-Hydroxyestrone-11-nitrate (CAS 105801-89-6), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: [(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate.
Chemical Property Profile of 9-Hydroxyestrone-11-nitrate
Property Insights of 9-Hydroxyestrone-11-nitrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxyestrone-11-nitrate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxyestrone-11-nitrate. Following Lipinski's Rule of Five, 9-Hydroxyestrone-11-nitrate has 2 hydrogen bond donor(s) and 6 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 9-Hydroxyestrone-11-nitrate?
The CAS number of 9-Hydroxyestrone-11-nitrate is 105801-89-6.
What is the molecular formula of 9-Hydroxyestrone-11-nitrate?
The molecular formula of 9-Hydroxyestrone-11-nitrate is C18H21NO6.
What is the molecular weight of 9-Hydroxyestrone-11-nitrate?
The molecular weight of 9-Hydroxyestrone-11-nitrate is 347.14 g/mol.
Where can I buy 9-Hydroxyestrone-11-nitrate?
You can request a quote for 9-Hydroxyestrone-11-nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxyestrone-11-nitrate?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxyestrone-11-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.