N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid
TL;DR: N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid (CAS 313958-70-2) 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.
4-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
Also Known As: CBKinase1_001803, CBKinase1_014203, BAS 00483678, N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid, BRD-A62834244-001-01-8
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.92052 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 680.4178 |
Chemical Identifiers
| CAS Number | 313958-70-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid (CAS 313958-70-2), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: 4-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid.
Chemical Property Profile of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid
Property Insights of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid
The XLogP value of 3.92052 indicates that N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid. Following Lipinski's Rule of Five, N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic 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 N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid?
The CAS number of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid is 313958-70-2.
What is the molecular formula of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid?
The molecular formula of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid is C18H18ClNO3.
What is the molecular weight of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid?
The molecular weight of N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid is 331.10 g/mol.
Where can I buy N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid?
You can request a quote for N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.