4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid
TL;DR: 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid (CAS 852136-92-6) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methyl-1H-indol-5-yl)methylamino]-4-oxobutanoic acid
Also Known As: ChemDiv2_006823, IFLab1_002920, IDI1_005538, IDI1_009379, F0651-0121
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.95732 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 616.17865 |
Chemical Identifiers
| CAS Number | 852136-92-6 |
|---|---|
| SMILES | CC1=CC2=C(N1)C=CC(=C2)CNC(=O)CCC(=O)O |
Product Overview
4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid (CAS 852136-92-6), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 4-[(2-methyl-1H-indol-5-yl)methylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid
Property Insights of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid
The XLogP value of 1.95732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 2 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-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid?
The CAS number of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid is 852136-92-6.
What is the molecular formula of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid is C14H16N2O3.
What is the molecular weight of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid is 260.12 g/mol.
Where can I buy 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-(((2-methyl-1H-indol-5-yl)methyl)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-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2-methyl-1H-indol-5-yl)methyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.