![2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide structure](/static/products/4894/489403-23-8.webp)
2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide
TL;DR: 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide (CAS 489403-23-8) is a chemical compound with molecular formula C27H26ClN3O3S2 and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzyl-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-(2-chlorophenyl)acetamide
Also Known As: 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide, 2-[(3-benzyl-4-oxo-6-propan-2-yl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide, 2-{[3-benzyl-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-(2-chlorophenyl)acetamide
| Molecular Formula | C27H26ClN3O3S2 |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 5.9878 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1104 |
| Heavy Atoms | 36 |
| Complexity | 1466.6481 |
Chemical Identifiers
| CAS Number | 489403-23-8 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4Cl)CC5=CC=CC=C5 |
Product Overview
2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide (CAS 489403-23-8), with molecular formula C27H26ClN3O3S2 and molecular weight 539.11 g/mol. IUPAC: 2-[(4-benzyl-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-(2-chlorophenyl)acetamide.
Chemical Property Profile of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide
Property Insights of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide
The XLogP value of 5.9878 indicates that 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide 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-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide 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-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide?
The CAS number of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide is 489403-23-8.
What is the molecular formula of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide?
The molecular formula of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide is C27H26ClN3O3S2.
What is the molecular weight of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide?
The molecular weight of 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide is 539.11 g/mol.
Where can I buy 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide?
You can request a quote for 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)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-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.