methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate
TL;DR: methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate (CAS 910443-13-9) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-ethylsulfonyl-1H-indole-2-carboxylate
Also Known As: methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate, methyl 6-ethylsulfonyl-1H-indole-2-carboxylate, methyl6-(ethylsulfonyl)-1H-indole-2-carboxylate, METHYL 6-(ETHANESULFONYL)-1H-INDOLE-2-CARBOXYLATE
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 1.7481 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 699.9357 |
Chemical Identifiers
| CAS Number | 910443-13-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)C=C(N2)C(=O)OC |
Product Overview
methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate (CAS 910443-13-9), with molecular formula C12H13NO4S and molecular weight 267.06 g/mol. IUPAC: methyl 6-ethylsulfonyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate
Property Insights of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate
The XLogP value of 1.7481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 6-(ethylsulfonyl)-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 methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate?
The CAS number of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate is 910443-13-9.
What is the molecular formula of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate?
The molecular formula of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate is C12H13NO4S.
What is the molecular weight of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate?
The molecular weight of methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate is 267.06 g/mol.
Where can I buy methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate?
You can request a quote for methyl 6-(ethylsulfonyl)-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 6-(ethylsulfonyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(ethylsulfonyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.