beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-
TL;DR: beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- (CAS 71455-87-3) is a chemical compound with molecular formula C20H21ClN2O4 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]propanoic acid
Also Known As: beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-, N-(N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)beta-alanine, N-(N-(p-Chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl)-3-aminopropionic acid, N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl-beta-alanine, 3-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]propanoic acid
| Molecular Formula | C20H21ClN2O4 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.19454 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.119 |
| Heavy Atoms | 27 |
| Complexity | 829.31024 |
Chemical Identifiers
| CAS Number | 71455-87-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(CC(=O)NCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- (CAS 71455-87-3), with molecular formula C20H21ClN2O4 and molecular weight 388.12 g/mol. IUPAC: 3-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-
Property Insights of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-
The XLogP value of 3.19454 indicates that beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- has 2 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 beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-?
The CAS number of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- is 71455-87-3.
What is the molecular formula of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-?
The molecular formula of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- is C20H21ClN2O4.
What is the molecular weight of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-?
The molecular weight of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- is 388.12 g/mol.
Where can I buy beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-?
You can request a quote for beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.