![4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid structure](/static/products/405/405215-92-1.png)
4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
TL;DR: 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid (CAS 405215-92-1) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-1-methylindol-2-yl)methylamino]benzoic acid
Also Known As: BAS 02282100, 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid, 4-{[(3-cyano-1-methylindol-2-yl)methyl]amino}benzoic acid, 4-(((3-cyano-1-methyl-1H-indol-2-yl)methyl)amino)benzoic acid, 4-[(3-cyano-1-methylindol-2-yl)methylamino]benzoic acid
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.36028 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 917.82996 |
Chemical Identifiers
| CAS Number | 405215-92-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CNC3=CC=C(C=C3)C(=O)O)C#N |
Product Overview
4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid (CAS 405215-92-1), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: 4-[(3-cyano-1-methylindol-2-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
Property Insights of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
The XLogP value of 3.36028 indicates that 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid?
The CAS number of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid is 405215-92-1.
What is the molecular formula of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid?
The molecular formula of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid is C18H15N3O2.
What is the molecular weight of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid?
The molecular weight of 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid is 305.12 g/mol.
Where can I buy 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid?
You can request a quote for 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]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-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.