![methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate structure](/static/products/364/364596-97-4.png)
methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
TL;DR: methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate (CAS 364596-97-4) is a chemical compound with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, methyl {[4-(4-bromophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate, methyl 2-((4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, METHYL 2-{[4-(4-BROMOPHENYL)-3-CYANO-6-OXO-4,5-DIHYDRO-1H-PYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C15H13BrN2O3S |
|---|---|
| Molecular Weight | 379.98 g/mol |
| LogP | 2.69398 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.98303 |
| Heavy Atoms | 22 |
| Complexity | 664.3603 |
Chemical Identifiers
| CAS Number | 364596-97-4 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C#N |
Product Overview
methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate (CAS 364596-97-4), with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol. IUPAC: methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Property Insights of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
The XLogP value of 2.69398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate 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 {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate?
The CAS number of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate is 364596-97-4.
What is the molecular formula of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate?
The molecular formula of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate is C15H13BrN2O3S.
What is the molecular weight of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate?
The molecular weight of methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate is 379.98 g/mol.
Where can I buy methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate?
You can request a quote for methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.