4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid
TL;DR: 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid (CAS 626207-99-6) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-imidazol-1-ylanilino)-5-oxopentanoic acid
Also Known As: 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid, TimTec1_008341, 5-(2-imidazol-1-ylanilino)-5-oxopentanoic acid, BAS 03775122, 5-((2-(1H-Imidazol-1-yl)phenyl)amino)-5-oxopentanoic acid
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 626207-99-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)N2C=CN=C2 |
| InChIKey | BUFNGFYVTYTZLB-UHFFFAOYSA-N |
Product Overview
4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid (CAS 626207-99-6), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: 5-(2-imidazol-1-ylanilino)-5-oxopentanoic acid.
Chemical Property Profile of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid
Property Insights of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid 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-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid?
The CAS number of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid is 626207-99-6.
What is the molecular formula of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid?
The molecular formula of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid is C14H15N3O3.
What is the molecular weight of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid?
The molecular weight of 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid is 273.11 g/mol.
Where can I buy 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid?
You can request a quote for 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.