methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-formyl-5-methyl-1H-indole-2-carboxylate (CAS 522648-40-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
Also Known As: AKOS JY2082909, Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate, 1h-indole-2-carboxylic acid,3-formyl-5-methyl-,methyl ester, 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-5-METHYL-,MET
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.07542 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 568.8927 |
Chemical Identifiers
| CAS Number | 522648-40-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2C=O)C(=O)OC |
Product Overview
methyl 3-formyl-5-methyl-1H-indole-2-carboxylate (CAS 522648-40-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 3-formyl-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
The XLogP value of 2.07542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-formyl-5-methyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 3-formyl-5-methyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-formyl-5-methyl-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-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate is 522648-40-4.
What is the molecular formula of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate is C12H11NO3.
What is the molecular weight of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-formyl-5-methyl-1H-indole-2-carboxylate is 217.07 g/mol.
Where can I buy methyl 3-formyl-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-formyl-5-methyl-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-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-formyl-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.