Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate
TL;DR: Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate (CAS 586337-04-4) is a chemical compound with molecular formula C12H9F2NO3 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate
Also Known As: Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate, BB 0249900, 4,6-Difluoro-3-formyl-1H-indole-2-carboxylic acid ethyl ester, 4,6-Difluoro-3-formyl-1H-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C12H9F2NO3 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 2.4353 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05505 |
| Heavy Atoms | 18 |
| Complexity | 633.7745 |
Chemical Identifiers
| CAS Number | 586337-04-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=C(C=C2F)F)C=O |
Product Overview
Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate (CAS 586337-04-4), with molecular formula C12H9F2NO3 and molecular weight 253.06 g/mol. IUPAC: ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate
Property Insights of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate
The XLogP value of 2.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,6-difluoro-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 4,6-difluoro-3-formyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate is 586337-04-4.
What is the molecular formula of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate is C12H9F2NO3.
What is the molecular weight of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate is 253.06 g/mol.
Where can I buy Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 4,6-difluoro-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 4,6-difluoro-3-formyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,6-difluoro-3-formyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.