2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
TL;DR: 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate (CAS 401630-99-7) is a chemical compound with molecular formula C10H7Cl2NO4 and molecular weight 274.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: 2-chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate, A2611/0111001, 2-chloroethyl 5-chloro-2-oxobenzo[d]oxazole-3(2H)-carboxylate, 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate, 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate #
| Molecular Formula | C10H7Cl2NO4 |
|---|---|
| Molecular Weight | 274.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.97522 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 401630-99-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N(C(=O)O2)C(=O)OCCCl |
| InChIKey | ONTYJCPFCUNEBG-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate (CAS 401630-99-7), with molecular formula C10H7Cl2NO4 and molecular weight 274.98 g/mol. IUPAC: 2-chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Property Insights of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-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 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The CAS number of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate is 401630-99-7.
What is the molecular formula of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The molecular formula of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate is C10H7Cl2NO4.
What is the molecular weight of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The molecular weight of 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate is 274.98 g/mol.
Where can I buy 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
You can request a quote for 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.