3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile
TL;DR: 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile (CAS 13610-55-4) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
Also Known As: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile, Maybridge1_008620, 3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile, 3(2H)-Benzoxazolepropanenitrile,2-oxo-, 3-(2-Oxobenzo[d]oxazol-3(2H)-yl)propanenitrile
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.50818 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 544.9827 |
Chemical Identifiers
| CAS Number | 13610-55-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CCC#N |
Product Overview
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile (CAS 13610-55-4), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile.
Chemical Property Profile of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile
Property Insights of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile
The XLogP value of 1.50818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile. With a topological polar surface area (TPSA) of 58.93 Ų, 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile 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 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile?
The CAS number of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile is 13610-55-4.
What is the molecular formula of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile?
The molecular formula of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile is C10H8N2O2.
What is the molecular weight of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile?
The molecular weight of 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile is 188.06 g/mol.
Where can I buy 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile?
You can request a quote for 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.