Methyl 3-(butyrylamino)-4-chlorobenzoate
TL;DR: Methyl 3-(butyrylamino)-4-chlorobenzoate (CAS 723290-93-5) 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 3-(butanoylamino)-4-chlorobenzoate
Also Known As: methyl 3-(butyrylamino)-4-chlorobenzoate, methyl 3-(butanoylamino)-4-chlorobenzoate, methyl 3-butanamido-4-chlorobenzoate, AN-652/43162648
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.8652 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 431.75897 |
Chemical Identifiers
| CAS Number | 723290-93-5 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl |
Product Overview
Methyl 3-(butyrylamino)-4-chlorobenzoate (CAS 723290-93-5), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: methyl 3-(butanoylamino)-4-chlorobenzoate.
Chemical Property Profile of Methyl 3-(butyrylamino)-4-chlorobenzoate
Property Insights of Methyl 3-(butyrylamino)-4-chlorobenzoate
The XLogP value of 2.8652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(butyrylamino)-4-chlorobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(butyrylamino)-4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(butyrylamino)-4-chlorobenzoate 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 3-(butyrylamino)-4-chlorobenzoate?
The CAS number of Methyl 3-(butyrylamino)-4-chlorobenzoate is 723290-93-5.
What is the molecular formula of Methyl 3-(butyrylamino)-4-chlorobenzoate?
The molecular formula of Methyl 3-(butyrylamino)-4-chlorobenzoate is C12H14ClNO3.
What is the molecular weight of Methyl 3-(butyrylamino)-4-chlorobenzoate?
The molecular weight of Methyl 3-(butyrylamino)-4-chlorobenzoate is 255.07 g/mol.
Where can I buy Methyl 3-(butyrylamino)-4-chlorobenzoate?
You can request a quote for Methyl 3-(butyrylamino)-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(butyrylamino)-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(butyrylamino)-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.