![Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester structure](/static/products/7918/791802-72-7.webp)
Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester
TL;DR: Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester (CAS 791802-72-7) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-3-(2-methylpropanoylamino)benzoate
Also Known As: methyl 4-chloro-3-(2-methylpropanoylamino)benzoate, Methyl 4-chloro-3-(isobutyramido)benzoate, Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester, methyl 4-chloro-3-(isobutyrylamino)benzoate, L-1089
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.7211 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 443.37692 |
Chemical Identifiers
| CAS Number | 791802-72-7 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl |
Product Overview
Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester (CAS 791802-72-7), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: methyl 4-chloro-3-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester
Property Insights of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester
The XLogP value of 2.7211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester?
The CAS number of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester is 791802-72-7.
What is the molecular formula of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester?
The molecular formula of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester is C12H14ClNO3.
What is the molecular weight of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester?
The molecular weight of Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester is 255.07 g/mol.
Where can I buy Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester?
You can request a quote for Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.