![4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid structure](/static/products/5151/515119-86-5.webp)
4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid
TL;DR: 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid (CAS 515119-86-5) is a chemical compound with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)amino]benzoic acid
Also Known As: 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid, 4-(1-benzyl-2,3-dimethyl-1H-indole-5-carboxamido)benzoic acid, 4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)amino]benzoic acid, 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)amino]benzoic Acid, 4-{[2,3-dimethyl-1-benzylindol-5-yl]carbonylamino}benzoic acid
| Molecular Formula | C25H22N2O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 5.25694 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.16306 |
| Heavy Atoms | 30 |
| Complexity | 1239.1252 |
Chemical Identifiers
| CAS Number | 515119-86-5 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4)C |
Product Overview
4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid (CAS 515119-86-5), with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol. IUPAC: 4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid
Property Insights of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid
The XLogP value of 5.25694 indicates that 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid?
The CAS number of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid is 515119-86-5.
What is the molecular formula of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid?
The molecular formula of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid is C25H22N2O3.
What is the molecular weight of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid?
The molecular weight of 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid is 398.16 g/mol.
Where can I buy 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid?
You can request a quote for 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.