Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester
TL;DR: Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester (CAS 147778-06-1) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-4-chlorobenzoate
Also Known As: Maybridge1_001909, methyl 2-acetamido-4-chlorobenzoate, Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester, 2-acetylamino-4-chlorobenzoic acid methyl ester
Technical Specifications
| Molecular Formula | C10H10ClNO3 |
| Molecular Weight | 227.03493 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.03493 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC |
| InChIKey | DKFAYQCXBCDRFR-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester
Property Insights of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester 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
What is the CAS number of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester?
The CAS number of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester is 147778-06-1.
What is the molecular formula of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester?
The molecular formula of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester is C10H10ClNO3.
What is the molecular weight of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester?
The molecular weight of Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester is 227.03493 g/mol.
Where can I buy Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester?
You can request a quote for Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(acetylamino)-4-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.