![3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/577/577790-62-6.png)
3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 577790-62-6) is a chemical compound with molecular formula C24H20ClN3O4S2 and molecular weight 513.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(4-chlorophenyl)-6,6-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H20ClN3O4S2 |
|---|---|
| Molecular Weight | 513.06 g/mol |
| LogP | 6.1524 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.05835 |
| Heavy Atoms | 34 |
| Complexity | 1461.0974 |
Chemical Identifiers
| CAS Number | 577790-62-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)C |
Product Overview
3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 577790-62-6), with molecular formula C24H20ClN3O4S2 and molecular weight 513.06 g/mol. IUPAC: 4-(4-chlorophenyl)-12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-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 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.1524 indicates that 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-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 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-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 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 577790-62-6.
What is the molecular formula of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C24H20ClN3O4S2.
What is the molecular weight of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 513.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-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 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-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 3-(4-chlorophenyl)-6,6-dimethyl-2-((4-nitrobenzyl)thio)-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.