methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate
TL;DR: methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate (CAS 696649-66-8) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate
Also Known As: ZERO/005123, methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate, methyl 3-amino-4,6-dimethoxy-1{H}-indole-2-carboxylate, methyl 3-amino-4,6-dimethoxyindole-2-carboxylate, 3-Amino-4,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.5539 |
| Topological Polar Surface Area | 86.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 603.6335 |
Chemical Identifiers
| CAS Number | 696649-66-8 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=C(N2)C(=O)OC)N |
Product Overview
methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate (CAS 696649-66-8), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate
Property Insights of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate
The XLogP value of 1.5539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate. The TPSA of 86.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 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-amino-4,6-dimethoxy-1H-indole-2-carboxylate?
The CAS number of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate is 696649-66-8.
What is the molecular formula of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate?
The molecular formula of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate is C12H14N2O4.
What is the molecular weight of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate?
The molecular weight of methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate is 250.10 g/mol.
Where can I buy methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate?
You can request a quote for methyl 3-amino-4,6-dimethoxy-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 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-4,6-dimethoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.