2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one
TL;DR: 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one (CAS 3649-43-2) is a chemical compound with molecular formula C7H9N3OS and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
Also Known As: NCI60_017154, 2,3,5,6,7,8-Hexahydro-2-thioxopyrido[2,3-d]pyrimidin-4(1H)-one, 2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one, 2-mercapto-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine, 2-sulfanyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-ol
| Molecular Formula | C7H9N3OS |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.79059 |
| Topological Polar Surface Area | 60.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.04663 |
| Heavy Atoms | 12 |
| Complexity | 405.8479 |
Chemical Identifiers
| CAS Number | 3649-43-2 |
|---|---|
| SMILES | C1CC2=C(NC1)NC(=S)NC2=O |
Product Overview
2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one (CAS 3649-43-2), with molecular formula C7H9N3OS and molecular weight 183.05 g/mol. IUPAC: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one
Property Insights of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one
The XLogP value of 0.79059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one. The TPSA of 60.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 3 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 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one?
The CAS number of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one is 3649-43-2.
What is the molecular formula of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one?
The molecular formula of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one is C7H9N3OS.
What is the molecular weight of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one?
The molecular weight of 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one is 183.05 g/mol.
Where can I buy 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one?
You can request a quote for 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,7,8-Hexahydro-2-thioxopyrido(2,3-d)pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.