2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile (CAS 39116-38-6) is a chemical compound with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile
Also Known As: 2-Benzoxazoleacetonitrile, alpha-(hydroxymethylene)-
| Molecular Formula | C10H6N2O2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04292 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 39116-38-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C(=CO)C#N |
| InChIKey | ZEANXDGLDCVALV-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile (CAS 39116-38-6), with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile 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-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile is 39116-38-6.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile is C10H6N2O2.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile is 186.04 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.