![2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/316/316359-97-4.png)
2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 316359-97-4) is a chemical compound with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-4-prop-2-enyl-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-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((3,4-dichlorobenzyl)thio)-6-ethyl-6-methyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-ALLYL-2-[(3,4-DICHLOROBENZYL)SULFANYL]-6-ETHYL-6-METHYL-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C22H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.4845 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.05 |
| Heavy Atoms | 30 |
| Complexity | 1188.0747 |
Chemical Identifiers
| CAS Number | 316359-97-4 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)CC=C)C |
Product Overview
2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 316359-97-4), with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-4-prop-2-enyl-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-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 6.4845 indicates that 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 316359-97-4.
What is the molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C22H22Cl2N2O2S2.
What is the molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 480.05 g/mol.
Where can I buy 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.