4-对茴香酰氨基丁酸
TL;DR: 4-对茴香酰氨基丁酸 (CAS 72432-14-5) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-对茴香酰氨基丁酸
4-[(4-methoxybenzoyl)amino]butanoic acid
Also Known As: N-Anisoyl-GABA, anisamidobutyric acid, N-Anysoyl-GABA, 4-[(4-methoxyphenyl)formamido]butanoic acid, 4-[(4-methoxybenzoyl)amino]butanoic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 72432-14-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCCCC(=O)O |
| InChIKey | DZTVZKSCFQIBMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-对茴香酰氨基丁酸 (CAS 72432-14-5), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 4-[(4-methoxybenzoyl)amino]butanoic acid.
Chemical Property Profile of 4-对茴香酰氨基丁酸
Property Insights of 4-对茴香酰氨基丁酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-对茴香酰氨基丁酸. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-对茴香酰氨基丁酸. Following Lipinski's Rule of Five, 4-对茴香酰氨基丁酸 has 2 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 4-对茴香酰氨基丁酸?
The CAS number of 4-对茴香酰氨基丁酸 is 72432-14-5.
What is the molecular formula of 4-对茴香酰氨基丁酸?
The molecular formula of 4-对茴香酰氨基丁酸 is C12H15NO4.
What is the molecular weight of 4-对茴香酰氨基丁酸?
The molecular weight of 4-对茴香酰氨基丁酸 is 237.10 g/mol.
Where can I buy 4-对茴香酰氨基丁酸?
You can request a quote for 4-对茴香酰氨基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-对茴香酰氨基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-对茴香酰氨基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.