ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate
TL;DR: ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate (CAS 154422-29-4) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-formyl-7-methylsulfanyl-1H-indole-2-carboxylate
Also Known As: ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate, ethyl 3-formyl-7-methylthioindole-2-carboxylate, AP-283/40634169, ethyl 3-formyl-7-methylsulfanyl-1H-indole-2-carboxylate
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.879 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 603.5473 |
Chemical Identifiers
| CAS Number | 154422-29-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C(=CC=C2)SC)C=O |
Product Overview
ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate (CAS 154422-29-4), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: ethyl 3-formyl-7-methylsulfanyl-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate
Property Insights of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate
The XLogP value of 2.879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate?
The CAS number of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate is 154422-29-4.
What is the molecular formula of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate is C13H13NO3S.
What is the molecular weight of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate is 263.06 g/mol.
Where can I buy ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-formyl-7-(methylsulfanyl)-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 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-formyl-7-(methylsulfanyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.