benzyl 1H-indole-3-carboxylate
TL;DR: benzyl 1H-indole-3-carboxylate (CAS 148357-04-4) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1H-indole-3-carboxylate
Also Known As: benzyl 1H-indole-3-carboxylate, 3-indolecarboxylic acid benzyl ester, benzyl indole-3-carboxylate, Phenylmethyl 1H-indole-3-carboxylate, 1H-Indole-3-carboxylic acid benzyl ester
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.5249 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 700.85547 |
Chemical Identifiers
| CAS Number | 148357-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CNC3=CC=CC=C32 |
Product Overview
benzyl 1H-indole-3-carboxylate (CAS 148357-04-4), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: benzyl 1H-indole-3-carboxylate.
Chemical Property Profile of benzyl 1H-indole-3-carboxylate
Property Insights of benzyl 1H-indole-3-carboxylate
The XLogP value of 3.5249 indicates that benzyl 1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, benzyl 1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 1H-indole-3-carboxylate has 1 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 benzyl 1H-indole-3-carboxylate?
The CAS number of benzyl 1H-indole-3-carboxylate is 148357-04-4.
What is the molecular formula of benzyl 1H-indole-3-carboxylate?
The molecular formula of benzyl 1H-indole-3-carboxylate is C16H13NO2.
What is the molecular weight of benzyl 1H-indole-3-carboxylate?
The molecular weight of benzyl 1H-indole-3-carboxylate is 251.09 g/mol.
Where can I buy benzyl 1H-indole-3-carboxylate?
You can request a quote for benzyl 1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.