methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate
TL;DR: methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate (CAS 861413-04-9) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-indol-1-ylacetyl)amino]benzoate
Also Known As: Methyl 4-[(2-indol-1-ylacetyl)amino]benzoate, methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate, methyl 4-[(1H-indol-1-ylacetyl)amino]benzoate, F5860-0388
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.0666 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 850.089 |
Chemical Identifiers
| CAS Number | 861413-04-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC3=CC=CC=C32 |
Product Overview
methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate (CAS 861413-04-9), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: methyl 4-[(2-indol-1-ylacetyl)amino]benzoate.
Chemical Property Profile of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate
Property Insights of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate
The XLogP value of 3.0666 indicates that methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate has 1 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-(1H-indol-1-yl)acetamido)benzoate?
The CAS number of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate is 861413-04-9.
What is the molecular formula of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate?
The molecular formula of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate is C18H16N2O3.
What is the molecular weight of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate?
The molecular weight of methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate is 308.12 g/mol.
Where can I buy methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate?
You can request a quote for methyl 4-(2-(1H-indol-1-yl)acetamido)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-(1H-indol-1-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-(1H-indol-1-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.