![2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/6789/678978-72-8.webp)
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 678978-72-8) is a chemical compound with molecular formula C18H16ClFN2OS2 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-((2-chloro-6-fluorobenzyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-[(6-chloro-2-fluorophenyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-3-hydrothio pheno[2,3-d]pyrimidin-4-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H16ClFN2OS2 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 5.34564 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.03766 |
| Heavy Atoms | 25 |
| Complexity | 1005.8185 |
Chemical Identifiers
| CAS Number | 678978-72-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC=C)C |
Product Overview
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 678978-72-8), with molecular formula C18H16ClFN2OS2 and molecular weight 394.04 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.34564 indicates that 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 678978-72-8.
What is the molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is C18H16ClFN2OS2.
What is the molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 394.04 g/mol.
Where can I buy 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-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-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.