Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate
TL;DR: Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate (CAS 175277-22-2) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: Maybridge4_004527, N-hydroxy-4-methylbenzamide, methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate, methyl 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylate, METHYL 3-CYANO-2-MERCAPTO-6-(METHOXYMETHYL)PYRIDINE-5-CARBOXYLATE
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 1.54887 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 501.76608 |
Chemical Identifiers
| CAS Number | 175277-22-2 |
|---|---|
| SMILES | COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC |
Product Overview
Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate (CAS 175277-22-2), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: methyl 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate
Property Insights of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate
The XLogP value of 1.54887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate. Following Lipinski's Rule of Five, Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate has 1 hydrogen bond donor(s) and 5 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 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate?
The CAS number of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate is 175277-22-2.
What is the molecular formula of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate?
The molecular formula of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate is C10H10N2O3S.
What is the molecular weight of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate?
The molecular weight of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate is 238.04 g/mol.
Where can I buy Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate?
You can request a quote for Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.