2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
TL;DR: 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 371935-24-9) is a chemical compound with molecular formula C10H7BrClNO4 and molecular weight 318.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate, 2-chloroethyl 6-bromo-2-oxobenzo[d]oxazole-3(2H)-carboxylate, 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
| Molecular Formula | C10H7BrClNO4 |
|---|---|
| Molecular Weight | 318.92 g/mol |
| LogP | 2.5805 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.9247 |
| Heavy Atoms | 17 |
| Complexity | 618.2837 |
Chemical Identifiers
| CAS Number | 371935-24-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)OC(=O)N2C(=O)OCCCl |
Product Overview
2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 371935-24-9), with molecular formula C10H7BrClNO4 and molecular weight 318.92 g/mol. IUPAC: 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Property Insights of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
The XLogP value of 2.5805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. Following Lipinski's Rule of Five, 2-chloroethyl 6-bromo-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 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The CAS number of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 371935-24-9.
What is the molecular formula of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular formula of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is C10H7BrClNO4.
What is the molecular weight of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular weight of 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 318.92 g/mol.
Where can I buy 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
You can request a quote for 2-chloroethyl 6-bromo-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 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloroethyl 6-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.