methyl 3-amino-4-methoxy-1H-indole-2-carboxylate
TL;DR: methyl 3-amino-4-methoxy-1H-indole-2-carboxylate (CAS 696649-57-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-methoxy-1H-indole-2-carboxylate
Also Known As: methyl 3-amino-4-methoxy-1H-indole-2-carboxylate, ZERO/005115, methyl 3-amino-4-methoxyindole-2-carboxylate, methyl3-amino-4-methoxy-1H-indole-2-carboxylate, methyl 3-amino-4-methoxy-1h-indole-2-carb-oxylate
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.5453 |
| Topological Polar Surface Area | 77.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 545.3984 |
Chemical Identifiers
| CAS Number | 696649-57-7 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=C(N2)C(=O)OC)N |
Product Overview
methyl 3-amino-4-methoxy-1H-indole-2-carboxylate (CAS 696649-57-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: methyl 3-amino-4-methoxy-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate
Property Insights of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate
The XLogP value of 1.5453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-amino-4-methoxy-1H-indole-2-carboxylate. The TPSA of 77.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-4-methoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-4-methoxy-1H-indole-2-carboxylate has 2 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 methyl 3-amino-4-methoxy-1H-indole-2-carboxylate?
The CAS number of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate is 696649-57-7.
What is the molecular formula of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate?
The molecular formula of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate is C11H12N2O3.
What is the molecular weight of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate?
The molecular weight of methyl 3-amino-4-methoxy-1H-indole-2-carboxylate is 220.08 g/mol.
Where can I buy methyl 3-amino-4-methoxy-1H-indole-2-carboxylate?
You can request a quote for methyl 3-amino-4-methoxy-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-methoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-4-methoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.