phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
TL;DR: phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 27087-40-7) is a chemical compound with molecular formula C14H8ClNO4 and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: J3.038.387G, 6-chloro-N-(phenoxycarbonyl)benzoxazolin-2-one, phenyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate, phenyl 6-chloro-2-oxobenzo[d]oxazole-3(2H)-carboxylate, phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
| Molecular Formula | C14H8ClNO4 |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 3.295 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.0142 |
| Heavy Atoms | 20 |
| Complexity | 835.2512 |
Chemical Identifiers
| CAS Number | 27087-40-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)N2C3=C(C=C(C=C3)Cl)OC2=O |
Product Overview
phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 27087-40-7), with molecular formula C14H8ClNO4 and molecular weight 289.01 g/mol. IUPAC: phenyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Property Insights of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
The XLogP value of 3.295 indicates that phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. Following Lipinski's Rule of Five, phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate has 0 hydrogen bond donor(s) and 4 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 phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The CAS number of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 27087-40-7.
What is the molecular formula of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular formula of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is C14H8ClNO4.
What is the molecular weight of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular weight of phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 289.01 g/mol.
Where can I buy phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
You can request a quote for phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.