![4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid structure](/static/products/2703/27031-00-1.webp)
4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid (CAS 27031-00-1) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
Also Known As: 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid, 4-([4-(1H-Benzimidazol-2-yl)phenyl]amino)-4-oxobutanoic acid, BAS 00465232, N-[4-(1H-Benzoimidazol-2-yl)-phenyl]-succinamic acid, 3-{[4-(1H-1,3-BENZODIAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 27031-00-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCC(=O)O |
| InChIKey | ARVPDCQNTCJVSU-UHFFFAOYSA-N |
Product Overview
4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid (CAS 27031-00-1), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: 4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid has 3 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-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid is 27031-00-1.
What is the molecular formula of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid is C17H15N3O3.
What is the molecular weight of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid is 309.11 g/mol.
Where can I buy 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(1H-benzimidazol-2-yl)phenyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.