![5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4960/496026-40-5.webp)
5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 496026-40-5) is a chemical compound with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H25N3O2S2 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 4.72402 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.13882 |
| Heavy Atoms | 30 |
| Complexity | 1125.796 |
Chemical Identifiers
| CAS Number | 496026-40-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC=C |
Product Overview
5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 496026-40-5), with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol. IUPAC: 5-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.72402 indicates that 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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 55.2 Ų, 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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, 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 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 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 496026-40-5.
What is the molecular formula of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is C23H25N3O2S2.
What is the molecular weight of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 439.14 g/mol.
Where can I buy 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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.