3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
TL;DR: 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one (CAS 6632-74-2) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2-Nitroestrone, 6-Methyl-2-nitro-3-pyridinol, 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, J1.060.583K, 2-Nitro-3-hydroxyestra-1(10),2,4-triene-17-one
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 6632-74-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)[N+](=O)[O-])O |
| InChIKey | CXYPVKBFRMXQDI-JPVZDGGYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one (CAS 6632-74-2), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
Property Insights of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
The XLogP value of 3.5 indicates that 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one. Following Lipinski's Rule of Five, 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one has 1 hydrogen bond donor(s) and 4 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 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one?
The CAS number of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one is 6632-74-2.
What is the molecular formula of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one?
The molecular formula of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one is C18H21NO4.
What is the molecular weight of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one?
The molecular weight of 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one is 315.15 g/mol.
Where can I buy 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one?
You can request a quote for 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.