2-Oxiranemethanol, 3-(4-nitrophenyl)-
TL;DR: 2-Oxiranemethanol, 3-(4-nitrophenyl)- (CAS 35587-52-1) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-nitrophenyl)oxiran-2-yl]methanol
Also Known As: Dibromomalononitrile, [3-(4-nitrophenyl)oxiran-2-yl]methanol, 2-Oxiranemethanol, 3-(4-nitrophenyl)-, Oxiranemethanol, 3-(4-nitrophenyl)- (9CI), US8815951, Epoxide Hydrolase Inhibitor 20
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.027 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 348.3345 |
Chemical Identifiers
| CAS Number | 35587-52-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(O2)CO)[N+](=O)[O-] |
Product Overview
2-Oxiranemethanol, 3-(4-nitrophenyl)- (CAS 35587-52-1), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: [3-(4-nitrophenyl)oxiran-2-yl]methanol.
Chemical Property Profile of 2-Oxiranemethanol, 3-(4-nitrophenyl)-
Property Insights of 2-Oxiranemethanol, 3-(4-nitrophenyl)-
The XLogP value of 1.027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxiranemethanol, 3-(4-nitrophenyl)-. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxiranemethanol, 3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Oxiranemethanol, 3-(4-nitrophenyl)- 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 2-Oxiranemethanol, 3-(4-nitrophenyl)-?
The CAS number of 2-Oxiranemethanol, 3-(4-nitrophenyl)- is 35587-52-1.
What is the molecular formula of 2-Oxiranemethanol, 3-(4-nitrophenyl)-?
The molecular formula of 2-Oxiranemethanol, 3-(4-nitrophenyl)- is C9H9NO4.
What is the molecular weight of 2-Oxiranemethanol, 3-(4-nitrophenyl)-?
The molecular weight of 2-Oxiranemethanol, 3-(4-nitrophenyl)- is 195.05 g/mol.
Where can I buy 2-Oxiranemethanol, 3-(4-nitrophenyl)-?
You can request a quote for 2-Oxiranemethanol, 3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranemethanol, 3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranemethanol, 3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.