methyl 3-formyl-1H-indole-2-carboxylate
TL;DR: methyl 3-formyl-1H-indole-2-carboxylate (CAS 88129-40-2) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formyl-1H-indole-2-carboxylate
Also Known As: methyl 3-formyl-1H-indole-2-carboxylate, methyl 3-formylindole-2-carboxylate, methylformylindolecarboxylate, Methyl3-Formyl-1h-Indole-2-Carboxylate, 3-formyl-1h-indole-2-carboxylic acid methyl ester
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 88129-40-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2N1)C=O |
| InChIKey | UUNXYIKVJPXHTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-formyl-1H-indole-2-carboxylate (CAS 88129-40-2), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 3-formyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-formyl-1H-indole-2-carboxylate
Property Insights of methyl 3-formyl-1H-indole-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-formyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, methyl 3-formyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-formyl-1H-indole-2-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-formyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-formyl-1H-indole-2-carboxylate is 88129-40-2.
What is the molecular formula of methyl 3-formyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-formyl-1H-indole-2-carboxylate is C11H9NO3.
What is the molecular weight of methyl 3-formyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-formyl-1H-indole-2-carboxylate is 203.06 g/mol.
Where can I buy methyl 3-formyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-formyl-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-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-formyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.