![2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide structure](/static/products/488/488852-33-1.png)
2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
TL;DR: 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide (CAS 488852-33-1) is a chemical compound with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-oxo-4-(2-phenylethyl)-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-phenylpropanamide
Also Known As: 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide, 2-{[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
| Molecular Formula | C29H31N3O3S2 |
|---|---|
| Molecular Weight | 533.18 g/mol |
| LogP | 5.9173 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.18066 |
| Heavy Atoms | 37 |
| Complexity | 1448.2859 |
Chemical Identifiers
| CAS Number | 488852-33-1 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC4=CC=CC=C4)CCC5=CC=CC=C5 |
Product Overview
2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide (CAS 488852-33-1), with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol. IUPAC: 2-[[3-oxo-4-(2-phenylethyl)-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-phenylpropanamide.
Chemical Property Profile of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
Property Insights of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
The XLogP value of 5.9173 indicates that 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide. Following Lipinski's Rule of Five, 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The CAS number of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is 488852-33-1.
What is the molecular formula of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The molecular formula of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is C29H31N3O3S2.
What is the molecular weight of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The molecular weight of 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is 533.18 g/mol.
Where can I buy 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
You can request a quote for 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.