![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/351/351007-16-4.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 351007-16-4) is a chemical compound with molecular formula C23H25ClN2O3S2 and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(2-methylpropyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-3-ISOBUTYL-6,6-DIMETHYL-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(2-methylpropyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H25ClN2O3S2 |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 5.5937 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.09952 |
| Heavy Atoms | 31 |
| Complexity | 1196.2373 |
Chemical Identifiers
| CAS Number | 351007-16-4 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CC(OC4)(C)C |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 351007-16-4), with molecular formula C23H25ClN2O3S2 and molecular weight 476.10 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(2-methylpropyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.5937 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 351007-16-4.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C23H25ClN2O3S2.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 476.10 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-isobutyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.