![Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate structure](/static/products/4426/442632-73-7.webp)
Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate
TL;DR: Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate (CAS 442632-73-7) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzoate
Also Known As: ZERO/003250, methyl 4-{[2-(2-methyl-1H-indol-3-yl)ethyl]carbamoyl}benzoate, Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate, methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzoate, methyl 4-{N-[2-(2-methylindol-3-yl)ethyl]carbamoyl}benzoate
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 442632-73-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | LMDJLCLBOCXAMO-UHFFFAOYSA-N |
Product Overview
Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate (CAS 442632-73-7), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate
Property Insights of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate
The XLogP value of 3.5 indicates that Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate 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 Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate?
The CAS number of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate is 442632-73-7.
What is the molecular formula of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate?
The molecular formula of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate is C20H20N2O3.
What is the molecular weight of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate?
The molecular weight of Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate is 336.15 g/mol.
Where can I buy Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate?
You can request a quote for Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.