9-Hydroxyestrone-3-acetate-11-nitrate
TL;DR: 9-Hydroxyestrone-3-acetate-11-nitrate (CAS 38502-65-7) is a chemical compound with molecular formula C20H23NO7 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,11S,13S,14S)-9-hydroxy-13-methyl-11-nitrooxy-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 9-Hydroxyestrone-3-acetate-11-nitrate, KST-1A4423, 9alpha-Hydroxyestrone-3-acetate-11beta-nitrate, 3-acetoxy-9, A,11
| Molecular Formula | C20H23NO7 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.14746 |
| Heavy Atoms | 28 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 38502-65-7 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3([C@@H](CC2)[C@@H]4CCC(=O)[C@]4(C[C@@H]3O[N+](=O)[O-])C)O |
| InChIKey | PIFWUSBKSLUDOU-DIUKVQJFSA-N |
Product Overview
9-Hydroxyestrone-3-acetate-11-nitrate (CAS 38502-65-7), with molecular formula C20H23NO7 and molecular weight 389.15 g/mol. IUPAC: [(8S,11S,13S,14S)-9-hydroxy-13-methyl-11-nitrooxy-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 9-Hydroxyestrone-3-acetate-11-nitrate
Property Insights of 9-Hydroxyestrone-3-acetate-11-nitrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxyestrone-3-acetate-11-nitrate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxyestrone-3-acetate-11-nitrate. Following Lipinski's Rule of Five, 9-Hydroxyestrone-3-acetate-11-nitrate has 1 hydrogen bond donor(s) and 7 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-3-acetate-11-nitrate?
The CAS number of 9-Hydroxyestrone-3-acetate-11-nitrate is 38502-65-7.
What is the molecular formula of 9-Hydroxyestrone-3-acetate-11-nitrate?
The molecular formula of 9-Hydroxyestrone-3-acetate-11-nitrate is C20H23NO7.
What is the molecular weight of 9-Hydroxyestrone-3-acetate-11-nitrate?
The molecular weight of 9-Hydroxyestrone-3-acetate-11-nitrate is 389.15 g/mol.
Where can I buy 9-Hydroxyestrone-3-acetate-11-nitrate?
You can request a quote for 9-Hydroxyestrone-3-acetate-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-3-acetate-11-nitrate?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxyestrone-3-acetate-11-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.