Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester
TL;DR: Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester (CAS 79592-88-4) is a chemical compound with molecular formula C21H25ClN2O3 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate
Also Known As: ALANINE, N-BENZOYL-N-(p-CHLOROPHENYL)-2-METHYL-, 2-(DIMETHYLAMINO)ETHYL ESTER, N-Benzoyl-N-(p-chlorophenyl)-2-methylalanine 2-(dimethylamino)ethyl ester, 2-(dimethylamino)ethyl N-benzoyl-N-(4-chlorophenyl)-2-methylalaninate, 2-dimethylaminoethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate, 2-(dimethylamino)ethyl 2-[N-(4-chlorophenyl)-1-phenylformamido]-2-methylpropanoate
| Molecular Formula | C21H25ClN2O3 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.15536 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 79592-88-4 |
|---|---|
| SMILES | CC(C)(C(=O)OCCN(C)C)N(C1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2 |
| InChIKey | WKENMMMOLLOUAJ-UHFFFAOYSA-N |
Product Overview
Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester (CAS 79592-88-4), with molecular formula C21H25ClN2O3 and molecular weight 388.16 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate.
Chemical Property Profile of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester
Property Insights of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester
The XLogP value of 4.1 indicates that Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester has 0 hydrogen bond donor(s) and 4 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 Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester?
The CAS number of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester is 79592-88-4.
What is the molecular formula of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester?
The molecular formula of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester is C21H25ClN2O3.
What is the molecular weight of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester?
The molecular weight of Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester is 388.16 g/mol.
Where can I buy Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester?
You can request a quote for Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.