![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/384/384801-92-7.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 384801-92-7) is a chemical compound with molecular formula C27H25ClN2O4S2 and molecular weight 540.09 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-4-(4-methoxyphenyl)-12-propan-2-yl-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)-6-isopropyl-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C27H25ClN2O4S2 |
|---|---|
| Molecular Weight | 540.09 g/mol |
| LogP | 6.1815 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.0944 |
| Heavy Atoms | 36 |
| Complexity | 1477.1787 |
Chemical Identifiers
| CAS Number | 384801-92-7 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 384801-92-7), with molecular formula C27H25ClN2O4S2 and molecular weight 540.09 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-12-propan-2-yl-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)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.1815 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 384801-92-7.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C27H25ClN2O4S2.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 540.09 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-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)-6-isopropyl-3-(4-methoxyphenyl)-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.