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Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate
TL;DR: Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate (CAS 339011-53-9) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-ethoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate
Also Known As: methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate, 7G-439S, methyl 6-(2-ethoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate, methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]pyridine-3-carboxylate, Methyl 6-[(2-ethoxy-2-oxoethyl)thio]-3-pyridinecarboxylate
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.5234 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 390.96283 |
Chemical Identifiers
| CAS Number | 339011-53-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(C=C1)C(=O)OC |
Product Overview
Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate (CAS 339011-53-9), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: methyl 6-(2-ethoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate
Property Insights of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate
The XLogP value of 1.5234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate. Following Lipinski's Rule of Five, Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate has 0 hydrogen bond donor(s) and 6 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-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate?
The CAS number of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate is 339011-53-9.
What is the molecular formula of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate?
The molecular formula of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate is C11H13NO4S.
What is the molecular weight of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate?
The molecular weight of Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate is 255.06 g/mol.
Where can I buy Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate?
You can request a quote for Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-[(2-ethoxy-2-oxoethyl)sulfanyl]nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.