![2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide structure](/static/products/500/500147-31-9.png)
2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
TL;DR: 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 500147-31-9) is a chemical compound with molecular formula C25H30N4O3S2 and molecular weight 498.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide, 2-{[3-cyclohexyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
| Molecular Formula | C25H30N4O3S2 |
|---|---|
| Molecular Weight | 498.18 g/mol |
| LogP | 5.1863 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.17593 |
| Heavy Atoms | 34 |
| Complexity | 1232.4269 |
Chemical Identifiers
| CAS Number | 500147-31-9 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=N4)C5CCCCC5 |
Product Overview
2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 500147-31-9), with molecular formula C25H30N4O3S2 and molecular weight 498.18 g/mol. IUPAC: 2-[(4-cyclohexyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
Property Insights of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
The XLogP value of 5.1863 indicates that 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The CAS number of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is 500147-31-9.
What is the molecular formula of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular formula of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is C25H30N4O3S2.
What is the molecular weight of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular weight of 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is 498.18 g/mol.
Where can I buy 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
You can request a quote for 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyclohexyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.