2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile
TL;DR: 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile (CAS 175203-37-9) is a chemical compound with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzoxadiazol-5-yloxy)acetonitrile
Also Known As: Maybridge3_003889, 2-(2,1,3-benzoxadiazol-5-yloxy)acetonitrile, 2-(Benzo[c][1,2,5]oxadiazol-5-yloxy)acetonitrile, IDI1_015276, [(2,1,3-Benzoxadiazol-5-yl)oxy]acetonitrile
| Molecular Formula | C8H5N3O2 |
|---|---|
| Molecular Weight | 175.04 g/mol |
| LogP | 1.12518 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.03818 |
| Heavy Atoms | 13 |
| Complexity | 457.60223 |
Chemical Identifiers
| CAS Number | 175203-37-9 |
|---|---|
| SMILES | C1=CC2=NON=C2C=C1OCC#N |
Product Overview
2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile (CAS 175203-37-9), with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol. IUPAC: 2-(2,1,3-benzoxadiazol-5-yloxy)acetonitrile.
Chemical Property Profile of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile
Property Insights of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile
The XLogP value of 1.12518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile. Following Lipinski's Rule of Five, 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile has 0 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 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile?
The CAS number of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile is 175203-37-9.
What is the molecular formula of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile?
The molecular formula of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile is C8H5N3O2.
What is the molecular weight of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile?
The molecular weight of 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile is 175.04 g/mol.
Where can I buy 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile?
You can request a quote for 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.