![3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile structure](/static/products/903/903868-04-2.png)
3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
TL;DR: 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile (CAS 903868-04-2) is a chemical compound with molecular formula C15H9ClN2O2 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
Also Known As: 3-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile, 3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitrile, 3-((5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)methyl)benzonitrile
| Molecular Formula | C15H9ClN2O2 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 3.16788 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.03525 |
| Heavy Atoms | 20 |
| Complexity | 886.76025 |
Chemical Identifiers
| CAS Number | 903868-04-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#N)CN2C3=C(C=CC(=C3)Cl)OC2=O |
Product Overview
3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile (CAS 903868-04-2), with molecular formula C15H9ClN2O2 and molecular weight 284.04 g/mol. IUPAC: 3-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile.
Chemical Property Profile of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
Property Insights of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
The XLogP value of 3.16788 indicates that 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.93 Ų, 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile 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-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The CAS number of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is 903868-04-2.
What is the molecular formula of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The molecular formula of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is C15H9ClN2O2.
What is the molecular weight of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The molecular weight of 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is 284.04 g/mol.
Where can I buy 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
You can request a quote for 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.