methyl 1-benzyl-1H-indole-2-carboxylate
TL;DR: methyl 1-benzyl-1H-indole-2-carboxylate (CAS 81787-92-0) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzylindole-2-carboxylate
Also Known As: methyl 1-benzyl-1H-indole-2-carboxylate, methyl 1-benzylindole-2-carboxylate, Methyl1-benzyl-1H-indole-2-carboxylate, 1-Benzyl-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylic acid, 1-(phenylmethyl)-, methyl ester
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.4762 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 744.0308 |
Chemical Identifiers
| CAS Number | 81787-92-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3 |
Product Overview
methyl 1-benzyl-1H-indole-2-carboxylate (CAS 81787-92-0), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: methyl 1-benzylindole-2-carboxylate.
Chemical Property Profile of methyl 1-benzyl-1H-indole-2-carboxylate
Property Insights of methyl 1-benzyl-1H-indole-2-carboxylate
The XLogP value of 3.4762 indicates that methyl 1-benzyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 1-benzyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-benzyl-1H-indole-2-carboxylate has 0 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 methyl 1-benzyl-1H-indole-2-carboxylate?
The CAS number of methyl 1-benzyl-1H-indole-2-carboxylate is 81787-92-0.
What is the molecular formula of methyl 1-benzyl-1H-indole-2-carboxylate?
The molecular formula of methyl 1-benzyl-1H-indole-2-carboxylate is C17H15NO2.
What is the molecular weight of methyl 1-benzyl-1H-indole-2-carboxylate?
The molecular weight of methyl 1-benzyl-1H-indole-2-carboxylate is 265.11 g/mol.
Where can I buy methyl 1-benzyl-1H-indole-2-carboxylate?
You can request a quote for methyl 1-benzyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-benzyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-benzyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.