3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
TL;DR: 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile (CAS 58046-27-8) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
Also Known As: 3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile, (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 58046-27-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)[N+](=O)[O-])O |
| InChIKey | VFBDDOROPMRGEH-UHFFFAOYSA-N |
Product Overview
3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile (CAS 58046-27-8), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: 3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile.
Chemical Property Profile of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
Property Insights of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile?
The CAS number of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile is 58046-27-8.
What is the molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile?
The molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile is C10H8N2O4.
What is the molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile?
The molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile is 220.05 g/mol.
Where can I buy 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile?
You can request a quote for 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.