![isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate structure](/static/products/372/372974-41-9.png)
isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate
TL;DR: isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate (CAS 372974-41-9) 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.
propan-2-yl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetate
Also Known As: isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate, propan-2-yl {[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate, propan-2-yl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetate
| 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 | 782.636 |
Chemical Identifiers
| CAS Number | 372974-41-9 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C2=C(COC(C2)(C)C)C(=N1)N3CCOCC3)C#N |
Product Overview
isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate (CAS 372974-41-9), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: propan-2-yl 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetate.
Chemical Property Profile of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate
Property Insights of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate
The XLogP value of 2.68488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate. The TPSA of 84.68 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate. Following Lipinski's Rule of Five, isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate 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 isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate?
The CAS number of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate is 372974-41-9.
What is the molecular formula of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate?
The molecular formula of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate is C20H27N3O4S.
What is the molecular weight of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate?
The molecular weight of isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate is 405.17 g/mol.
Where can I buy isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate?
You can request a quote for isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.