Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
TL;DR: Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate (CAS 586337-03-3) is a chemical compound with molecular formula C12H9ClFNO3 and molecular weight 269.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
Also Known As: Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate, 1H-INDOLE-2-CARBOXYLIC ACID,6-CHLORO-4-FLUORO-3-FO, 1h-indole-2-carboxylic acid,6-chloro-4-fluoro-3-formyl-,ethyl ester, 1H-INDOLE-2-CARBOXYLIC ACID, 6-CHLORO-4-FLUORO-3-FORMYL-, ETHYL ESTER
| Molecular Formula | C12H9ClFNO3 |
|---|---|
| Molecular Weight | 269.03 g/mol |
| LogP | 2.9496 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0255 |
| Heavy Atoms | 18 |
| Complexity | 635.7745 |
Chemical Identifiers
| CAS Number | 586337-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=C(C=C2F)Cl)C=O |
Product Overview
Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate (CAS 586337-03-3), with molecular formula C12H9ClFNO3 and molecular weight 269.03 g/mol. IUPAC: ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
Property Insights of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
The XLogP value of 2.9496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 6-chloro-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 6-chloro-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 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate is 586337-03-3.
What is the molecular formula of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate is C12H9ClFNO3.
What is the molecular weight of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate is 269.03 g/mol.
Where can I buy Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 6-chloro-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 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.