2-((4-Aminophenyl)methyl)butanedioic acid
TL;DR: 2-((4-Aminophenyl)methyl)butanedioic acid (CAS 61445-53-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminophenyl)methyl]butanedioic acid
Also Known As: 4-Aminobenzylsuccinic acid, 4-Amino-D,L-benzylsuccinic Acid, 2-(4-Aminobenzyl)succinic acid, 2-[(4-aminophenyl)methyl]butanedioic acid, PABSA
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 61445-53-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CC(=O)O)C(=O)O)N |
| InChIKey | HWEYHPQQWPDLAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Aminophenyl)methyl)butanedioic acid (CAS 61445-53-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 2-[(4-aminophenyl)methyl]butanedioic acid.
Chemical Property Profile of 2-((4-Aminophenyl)methyl)butanedioic acid
Property Insights of 2-((4-Aminophenyl)methyl)butanedioic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Aminophenyl)methyl)butanedioic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Aminophenyl)methyl)butanedioic acid. Following Lipinski's Rule of Five, 2-((4-Aminophenyl)methyl)butanedioic acid has 3 hydrogen bond donor(s) and 5 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 2-((4-Aminophenyl)methyl)butanedioic acid?
The CAS number of 2-((4-Aminophenyl)methyl)butanedioic acid is 61445-53-2.
What is the molecular formula of 2-((4-Aminophenyl)methyl)butanedioic acid?
The molecular formula of 2-((4-Aminophenyl)methyl)butanedioic acid is C11H13NO4.
What is the molecular weight of 2-((4-Aminophenyl)methyl)butanedioic acid?
The molecular weight of 2-((4-Aminophenyl)methyl)butanedioic acid is 223.08 g/mol.
Where can I buy 2-((4-Aminophenyl)methyl)butanedioic acid?
You can request a quote for 2-((4-Aminophenyl)methyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Aminophenyl)methyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Aminophenyl)methyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.