![2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/799/799787-16-9.png)
2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 799787-16-9) is a chemical compound with molecular formula C25H22Cl2N2O3S2 and molecular weight 532.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-12,12-dimethyl-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(2,6-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H22Cl2N2O3S2 |
|---|---|
| Molecular Weight | 532.04 g/mol |
| LogP | 6.9062 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.04486 |
| Heavy Atoms | 34 |
| Complexity | 1425.3109 |
Chemical Identifiers
| CAS Number | 799787-16-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)OC)C |
Product Overview
2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 799787-16-9), with molecular formula C25H22Cl2N2O3S2 and molecular weight 532.04 g/mol. IUPAC: 5-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-12,12-dimethyl-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.9062 indicates that 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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. With a topological polar surface area (TPSA) of 53.35 Ų, 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 799787-16-9.
What is the molecular formula of 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C25H22Cl2N2O3S2.
What is the molecular weight of 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 532.04 g/mol.
Where can I buy 2-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-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.