![3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid structure](/static/products/7276/727673-69-0.webp)
3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid
TL;DR: 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid (CAS 727673-69-0) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoic acid
Also Known As: 3-{[(chloroacetyl)amino]methyl}-4-methylbenzoic acid, CHEMBRDG-BB 9071628, 3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoic acid, 3-((2-Chloroacetamido)methyl)-4-methylbenzoic acid, Y-1836
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.54822 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 727673-69-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)CNC(=O)CCl |
Product Overview
3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid (CAS 727673-69-0), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: 3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoic acid.
Chemical Property Profile of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid
Property Insights of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid
The XLogP value of 1.54822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid has 2 hydrogen bond donor(s) and 2 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 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid?
The CAS number of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid is 727673-69-0.
What is the molecular formula of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid?
The molecular formula of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid is C11H12ClNO3.
What is the molecular weight of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid?
The molecular weight of 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid is 241.05 g/mol.
Where can I buy 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid?
You can request a quote for 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Chloroacetyl)amino]methyl}-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.