DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester
TL;DR: DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester (CAS 58234-18-7) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
Also Known As: Metalaxyl Impurity, CGA 29212, DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester, J2.209.014C, Methyl N-(chloroacetyl)-N-(2,6-dimethylphenyl)alaninate
| Molecular Formula | C14H18ClNO3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.43674 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.09753 |
| Heavy Atoms | 19 |
| Complexity | 467.32947 |
Chemical Identifiers
| CAS Number | 58234-18-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CCl |
Product Overview
DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester (CAS 58234-18-7), with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol. IUPAC: methyl 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate.
Chemical Property Profile of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester
Property Insights of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester
The XLogP value of 2.43674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester has 0 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 DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester?
The CAS number of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester is 58234-18-7.
What is the molecular formula of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester?
The molecular formula of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester is C14H18ClNO3.
What is the molecular weight of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester?
The molecular weight of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester is 283.10 g/mol.
Where can I buy DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester?
You can request a quote for DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.