1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
TL;DR: 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester (CAS 667872-99-3) is a chemical compound with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
Also Known As: BAS 07213825, 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester, methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate, methyl 1-[2-(cycloheptylamino)-2-oxoethyl]-1H-indole-3-carboxylate, methyl 1-[(N-cycloheptylcarbamoyl)methyl]indole-3-carboxylate
| Molecular Formula | C19H24N2O3 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 3.2669 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.17868 |
| Heavy Atoms | 24 |
| Complexity | 727.2872 |
Chemical Identifiers
| CAS Number | 667872-99-3 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3CCCCCC3 |
Product Overview
1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester (CAS 667872-99-3), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate.
Chemical Property Profile of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
Property Insights of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
The XLogP value of 3.2669 indicates that 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester has 1 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 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester?
The CAS number of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester is 667872-99-3.
What is the molecular formula of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester?
The molecular formula of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester is C19H24N2O3.
What is the molecular weight of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester?
The molecular weight of 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester is 328.18 g/mol.
Where can I buy 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester?
You can request a quote for 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Cycloheptylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.