1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
TL;DR: 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester (CAS 56783-99-4) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-methyl-5-oxo-1,2,3,4-tetrahydroindole-6-carboxylate
Also Known As: Methyl 7-methyl-5-oxo-2,3,4,5-tetrahydro-1H-indole-6-carboxylate, 2,3,4,5-Tetrahydro-7-methyl-5-oxo-1H-indole-6-carboxylic acid methyl ester, methyl 7-methyl-5-oxo-1,2,3,4-tetrahydroindole-6-carboxylate, 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester, Methyl 7-methyl-5-oxo-2,3,4,5-tetrahydro-1H-indole-6-carboxylate #
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 56783-99-4 |
|---|---|
| SMILES | CC1=C(C(=O)CC2=C1NCC2)C(=O)OC |
| InChIKey | XDKFJVZKNPSHIW-UHFFFAOYSA-N |
Product Overview
1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester (CAS 56783-99-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: methyl 7-methyl-5-oxo-1,2,3,4-tetrahydroindole-6-carboxylate.
Chemical Property Profile of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
Property Insights of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester has 1 hydrogen bond donor(s) and 4 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 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester?
The CAS number of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester is 56783-99-4.
What is the molecular formula of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester?
The molecular formula of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester is C11H13NO3.
What is the molecular weight of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester?
The molecular weight of 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester is 207.09 g/mol.
Where can I buy 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester?
You can request a quote for 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.