![methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate structure](/static/products/3387/338778-45-3.webp)
methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate
TL;DR: methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate (CAS 338778-45-3) is a chemical compound with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-cyano-5-[2-(dimethylamino)ethenyl]-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
Also Known As: methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate, Methyl 2-[[4-cyano-5-(2-dimethylaminoethenyl)-1,2-thiazol-3-yl]sulfanylmethyl]benzoate, methyl 2-[[4-cyano-5-[2-(dimethylamino)ethenyl]-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
| Molecular Formula | C17H17N3O2S2 |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.62598 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.07623 |
| Heavy Atoms | 24 |
| Complexity | 791.3736 |
Chemical Identifiers
| CAS Number | 338778-45-3 |
|---|---|
| SMILES | CN(C)C=CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N |
Product Overview
methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate (CAS 338778-45-3), with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol. IUPAC: methyl 2-[[4-cyano-5-[2-(dimethylamino)ethenyl]-1,2-thiazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate
Property Insights of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate
The XLogP value of 3.62598 indicates that methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate has 0 hydrogen bond donor(s) and 7 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 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate?
The CAS number of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate is 338778-45-3.
What is the molecular formula of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate?
The molecular formula of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate is C17H17N3O2S2.
What is the molecular weight of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate?
The molecular weight of methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate is 359.08 g/mol.
Where can I buy methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate?
You can request a quote for methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({4-cyano-5-[2-(dimethylamino)vinyl]-3-isothiazolyl}sulfanyl)methyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.