![1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one structure](/static/products/6818/681801-49-0.webp)
1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one
TL;DR: 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one (CAS 681801-49-0) is a chemical compound with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chlorothiophen-2-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone
Also Known As: Maybridge1_004400, 1-(5-chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one, 1-(5-chloro(2-thienyl))-2-[4-(4-methoxyphenyl)pyrimidin-2-ylthio]ethan-1-one, 1-(5-chlorothiophen-2-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone, 1-(5-chlorothiophen-2-yl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
| Molecular Formula | C17H13ClN2O2S2 |
|---|---|
| Molecular Weight | 376.01 g/mol |
| LogP | 4.8421 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0107 |
| Heavy Atoms | 24 |
| Complexity | 849.8067 |
Chemical Identifiers
| CAS Number | 681801-49-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC=C(S3)Cl |
Product Overview
1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one (CAS 681801-49-0), with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol. IUPAC: 1-(5-chlorothiophen-2-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one
Property Insights of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one
The XLogP value of 4.8421 indicates that 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one?
The CAS number of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one is 681801-49-0.
What is the molecular formula of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one?
The molecular formula of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one is C17H13ClN2O2S2.
What is the molecular weight of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one?
The molecular weight of 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one is 376.01 g/mol.
Where can I buy 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one?
You can request a quote for 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-thienyl)-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]thio}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.