beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-
TL;DR: beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- (CAS 30544-73-1) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid
Also Known As: beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-, N-(p-Chlorobenzoyl)-N-2,6-xylyl-beta-alanine, 3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid, N-(p-Chlorobenzoyl)-N-(2,6-xylyl)-beta-alanine, N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)-beta-alanine
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 30544-73-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | QNHUFJPPCSTYBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- (CAS 30544-73-1), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: 3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid.
Chemical Property Profile of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-
Property Insights of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-
The XLogP value of 3.8 indicates that beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- 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 beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-?
The CAS number of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- is 30544-73-1.
What is the molecular formula of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-?
The molecular formula of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- is C18H18ClNO3.
What is the molecular weight of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-?
The molecular weight of beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- is 331.10 g/mol.
Where can I buy beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-?
You can request a quote for beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- 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-(p-chlorobenzoyl)-N-2,6-xylyl-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.