Methyl 6-tert-butyl-1H-indole-2-carboxylate
TL;DR: Methyl 6-tert-butyl-1H-indole-2-carboxylate (CAS 887360-36-3) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-1H-indole-2-carboxylate
Also Known As: methyl 6-tert-butyl-1H-indole-2-carboxylate, Methyl 6-(tert-butyl)-1H-indole-2-carboxylate, Methyl 6-(tert-Butyl)indole-2-carboxylate, J2.475.477D, Methyl6-(tert-butyl)-1H-indole-2-carboxylate
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.252 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 561.0962 |
Chemical Identifiers
| CAS Number | 887360-36-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C=C(N2)C(=O)OC |
Product Overview
Methyl 6-tert-butyl-1H-indole-2-carboxylate (CAS 887360-36-3), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: methyl 6-tert-butyl-1H-indole-2-carboxylate.
Chemical Property Profile of Methyl 6-tert-butyl-1H-indole-2-carboxylate
Property Insights of Methyl 6-tert-butyl-1H-indole-2-carboxylate
The XLogP value of 3.252 indicates that Methyl 6-tert-butyl-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 42.09 Ų, Methyl 6-tert-butyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-tert-butyl-1H-indole-2-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 Methyl 6-tert-butyl-1H-indole-2-carboxylate?
The CAS number of Methyl 6-tert-butyl-1H-indole-2-carboxylate is 887360-36-3.
What is the molecular formula of Methyl 6-tert-butyl-1H-indole-2-carboxylate?
The molecular formula of Methyl 6-tert-butyl-1H-indole-2-carboxylate is C14H17NO2.
What is the molecular weight of Methyl 6-tert-butyl-1H-indole-2-carboxylate?
The molecular weight of Methyl 6-tert-butyl-1H-indole-2-carboxylate is 231.13 g/mol.
Where can I buy Methyl 6-tert-butyl-1H-indole-2-carboxylate?
You can request a quote for Methyl 6-tert-butyl-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 6-tert-butyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-tert-butyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.