![ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate structure](/static/products/3308/330819-57-3.webp)
ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
TL;DR: ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate (CAS 330819-57-3) is a chemical compound with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
Also Known As: ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate, ethyl 2-{[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate, ethyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate, ethyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)propanoate, ethyl 2-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-3,4-dihydro-1H-pyrano[4,3-d]pyr idin-6-ylthio)propanoate
| Molecular Formula | C20H27N3O4S |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 2.68488 |
| Topological Polar Surface Area | 84.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.17224 |
| Heavy Atoms | 28 |
| Complexity | 784.636 |
Chemical Identifiers
| CAS Number | 330819-57-3 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=C(C2=C(COC(C2)(C)C)C(=N1)N3CCOCC3)C#N |
Product Overview
ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate (CAS 330819-57-3), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
Property Insights of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
The XLogP value of 2.68488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate. The TPSA of 84.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate has 0 hydrogen bond donor(s) and 8 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 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate?
The CAS number of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate is 330819-57-3.
What is the molecular formula of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate?
The molecular formula of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate is C20H27N3O4S.
What is the molecular weight of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate?
The molecular weight of ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate is 405.17 g/mol.
Where can I buy ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate?
You can request a quote for ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.