Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate
TL;DR: Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate (CAS 312915-01-8) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(dimethylamino)methyl]-1H-indole-7-carboxylate
Also Known As: Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate, methyl 3-[(dimethylamino)methyl]-1H-indole-7-carboxylate, Z-3046, 1H-Indole-7-carboxylic acid, 3-[(dimethylamino)methyl]-, methyl ester, methyl 3-(dimethylaminomethyl)-1H-indole-7-carboxylate
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.0161 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 543.3431 |
Chemical Identifiers
| CAS Number | 312915-01-8 |
|---|---|
| SMILES | CN(C)CC1=CNC2=C1C=CC=C2C(=O)OC |
Product Overview
Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate (CAS 312915-01-8), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: methyl 3-[(dimethylamino)methyl]-1H-indole-7-carboxylate.
Chemical Property Profile of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate
Property Insights of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate
The XLogP value of 2.0161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate. With a topological polar surface area (TPSA) of 45.33 Ų, Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate 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 Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate?
The CAS number of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate is 312915-01-8.
What is the molecular formula of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate?
The molecular formula of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate is C13H16N2O2.
What is the molecular weight of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate?
The molecular weight of Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate is 232.12 g/mol.
Where can I buy Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate?
You can request a quote for Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((dimethylamino)methyl)-1H-indole-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.