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Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate
TL;DR: Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate (CAS 147992-92-5) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetate
Also Known As: BIM-0042809.P001, AH-262/36083008, ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-4-(dimethylamino)pyridin-2-yl)thio)acetate, ethyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate
| Molecular Formula | C12H15N3O2S |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 1.67448 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0885 |
| Heavy Atoms | 18 |
| Complexity | 468.88058 |
Chemical Identifiers
| CAS Number | 147992-92-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=CC(=C1C#N)N(C)C |
Product Overview
Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate (CAS 147992-92-5), with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate
Property Insights of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate
The XLogP value of 1.67448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate 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 Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate?
The CAS number of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate is 147992-92-5.
What is the molecular formula of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate?
The molecular formula of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate is C12H15N3O2S.
What is the molecular weight of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate?
The molecular weight of Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate is 265.09 g/mol.
Where can I buy Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate?
You can request a quote for Ethyl {[3-cyano-4-(dimethylamino)pyridin-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 Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.