Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate
TL;DR: Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate (CAS 459449-16-2) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-amino-2-methyl-1H-indole-3-carboxylate
Also Known As: Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate, Phenylmethyl 5-amino-2-methyl-1H-indole-3-carboxylate
| Molecular Formula | C17H16N2O2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.41552 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.1212 |
| Heavy Atoms | 21 |
| Complexity | 791.1603 |
Chemical Identifiers
| CAS Number | 459449-16-2 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)N)C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate (CAS 459449-16-2), with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol. IUPAC: benzyl 5-amino-2-methyl-1H-indole-3-carboxylate.
Chemical Property Profile of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate
Property Insights of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate
The XLogP value of 3.41552 indicates that Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate 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 Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate?
The CAS number of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate is 459449-16-2.
What is the molecular formula of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate?
The molecular formula of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate is C17H16N2O2.
What is the molecular weight of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate?
The molecular weight of Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate is 280.12 g/mol.
Where can I buy Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate?
You can request a quote for Benzyl 5-amino-2-methyl-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 5-amino-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-amino-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.