![Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate structure](/static/products/4000/400080-67-3.webp)
Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate
TL;DR: Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate (CAS 400080-67-3) is a chemical compound with molecular formula C16H11ClN2O4 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzoxazole-3-carboxylate
Also Known As: 3G-407S, methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate, methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzoxazole-3-carboxylate, methyl 6-(2-chlorobenzamido)-1,2-benzoxazole-3-carboxylate
| Molecular Formula | C16H11ClN2O4 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 3.5201 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.04074 |
| Heavy Atoms | 23 |
| Complexity | 903.9866 |
Chemical Identifiers
| CAS Number | 400080-67-3 |
|---|---|
| SMILES | COC(=O)C1=NOC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate (CAS 400080-67-3), with molecular formula C16H11ClN2O4 and molecular weight 330.04 g/mol. IUPAC: methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzoxazole-3-carboxylate.
Chemical Property Profile of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate
Property Insights of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate
The XLogP value of 3.5201 indicates that Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate?
The CAS number of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate is 400080-67-3.
What is the molecular formula of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate?
The molecular formula of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate is C16H11ClN2O4.
What is the molecular weight of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate?
The molecular weight of Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate is 330.04 g/mol.
Where can I buy Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate?
You can request a quote for Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.