2-(1,3-Benzoxazol-2-yl)acetonitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)acetonitrile (CAS 15344-56-6) is a chemical compound with molecular formula C9H6N2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)acetonitrile
Also Known As: Benzooxazol-2-yl-acetonitrile, 1,3-benzoxazol-2-ylacetonitrile, 2-(Benzo[d]oxazol-2-yl)acetonitrile, 2-(1,3-benzoxazol-2-yl)acetonitrile, 2-Benzoxazoleacetonitrile
| Molecular Formula | C9H6N2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 1.89388 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04802 |
| Heavy Atoms | 12 |
| Complexity | 405.97043 |
Chemical Identifiers
| CAS Number | 15344-56-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)CC#N |
Product Overview
2-(1,3-Benzoxazol-2-yl)acetonitrile (CAS 15344-56-6), with molecular formula C9H6N2O and molecular weight 158.05 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)acetonitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)acetonitrile
The XLogP value of 1.89388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzoxazol-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 2-(1,3-Benzoxazol-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 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)acetonitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)acetonitrile is 15344-56-6.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)acetonitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)acetonitrile is C9H6N2O.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)acetonitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)acetonitrile is 158.05 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)acetonitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)acetonitrile 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)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.