3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile
TL;DR: 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile (CAS 19739-52-7) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanenitrile
Also Known As: BAS 01060553, 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile, 3-(6-Nitro-2-oxo-benzooxazol-3-yl)-propionitrile, 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanenitrile, 3-(6-nitro-2-oxo-3-hydrobenzoxazol-3-yl)propanenitrile
| Molecular Formula | C10H7N3O4 |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.41638 |
| Topological Polar Surface Area | 102.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04366 |
| Heavy Atoms | 17 |
| Complexity | 676.8963 |
Chemical Identifiers
| CAS Number | 19739-52-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCC#N |
Product Overview
3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile (CAS 19739-52-7), with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol. IUPAC: 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanenitrile.
Chemical Property Profile of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile
Property Insights of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile
The XLogP value of 1.41638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile. The TPSA of 102.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile 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 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile?
The CAS number of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile is 19739-52-7.
What is the molecular formula of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile?
The molecular formula of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile is C10H7N3O4.
What is the molecular weight of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile?
The molecular weight of 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile is 233.04 g/mol.
Where can I buy 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile?
You can request a quote for 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-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-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.