methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
TL;DR: methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 858749-33-4) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
Also Known As: methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate, ZERO/005618, 3-Formyl-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester, methyl 3-formyl-5,6-dimethoxyindole-2-carboxylate, methyl3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.7842 |
| Topological Polar Surface Area | 77.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 644.0113 |
Chemical Identifiers
| CAS Number | 858749-33-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)C=O)OC |
Product Overview
methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 858749-33-4), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
Property Insights of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
The XLogP value of 1.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate. The TPSA of 77.62 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate has 1 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-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The CAS number of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate is 858749-33-4.
What is the molecular formula of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular formula of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate is C13H13NO5.
What is the molecular weight of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular weight of methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate is 263.08 g/mol.
Where can I buy methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
You can request a quote for methyl 3-formyl-5,6-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-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.