Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate
TL;DR: Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate (CAS 586336-89-2) is a chemical compound with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate
Also Known As: Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate, 1h-indole-2-carboxylic acid,4-fluoro-3-formyl-,ethyl ester, BB 0249891, 1H-INDOLE-2-CARBOXYLIC ACID,4-FLUORO-3-FORMYL-,ETH, 4-Fluoro-3-formyl-1H-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C12H10FNO3 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 2.2962 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.06447 |
| Heavy Atoms | 17 |
| Complexity | 588.6934 |
Chemical Identifiers
| CAS Number | 586336-89-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC=C2F)C=O |
Product Overview
Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate (CAS 586336-89-2), with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol. IUPAC: ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate
Property Insights of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate
The XLogP value of 2.2962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluoro-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 Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate is 586336-89-2.
What is the molecular formula of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate is C12H10FNO3.
What is the molecular weight of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate is 235.06 g/mol.
Where can I buy Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 4-fluoro-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 Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-fluoro-3-formyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.