butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
TL;DR: butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 312747-07-2) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: butyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate, butyl 6-chloro-2-oxobenzo[d]oxazole-3(2H)-carboxylate, butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
| Molecular Formula | C12H12ClNO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.0327 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.04547 |
| Heavy Atoms | 18 |
| Complexity | 628.52936 |
Chemical Identifiers
| CAS Number | 312747-07-2 |
|---|---|
| SMILES | CCCCOC(=O)N1C2=C(C=C(C=C2)Cl)OC1=O |
Product Overview
butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 312747-07-2), with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol. IUPAC: butyl 6-chloro-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Property Insights of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
The XLogP value of 3.0327 indicates that butyl 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 butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. Following Lipinski's Rule of Five, butyl 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 butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The CAS number of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 312747-07-2.
What is the molecular formula of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular formula of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is C12H12ClNO4.
What is the molecular weight of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular weight of butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 269.05 g/mol.
Where can I buy butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
You can request a quote for butyl 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 butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.