Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate
TL;DR: Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate (CAS 339100-86-6) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoate
Also Known As: methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate, methyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoate, 8L-743, Methyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-benzenecarboxylate, methylchlorodimethylpropanoylaminobenzenecarboxylate
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.6767 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 457.3045 |
Chemical Identifiers
| CAS Number | 339100-86-6 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate (CAS 339100-86-6), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: methyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoate.
Chemical Property Profile of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate
Property Insights of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate
The XLogP value of 2.6767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate has 1 hydrogen bond donor(s) and 3 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 2-(3-chloro-2,2-dimethylpropanamido)benzoate?
The CAS number of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate is 339100-86-6.
What is the molecular formula of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate?
The molecular formula of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate is C13H16ClNO3.
What is the molecular weight of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate?
The molecular weight of Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate is 269.08 g/mol.
Where can I buy Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate?
You can request a quote for Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chloro-2,2-dimethylpropanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.