![5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one structure](/static/products/500/500112-73-2.png)
5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one
TL;DR: 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one (CAS 500112-73-2) is a chemical compound with molecular formula C16H13ClN2OS2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one, 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H13ClN2OS2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 4.93541 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.01578 |
| Heavy Atoms | 22 |
| Complexity | 980.27893 |
Chemical Identifiers
| CAS Number | 500112-73-2 |
|---|---|
| SMILES | CC1=C(C2=C(S1)NC(=S)N(C2=O)CC=C)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one (CAS 500112-73-2), with molecular formula C16H13ClN2OS2 and molecular weight 348.02 g/mol. IUPAC: 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one
Property Insights of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one
The XLogP value of 4.93541 indicates that 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[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 37.79 Ų, 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 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-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one?
The CAS number of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one is 500112-73-2.
What is the molecular formula of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one?
The molecular formula of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one is C16H13ClN2OS2.
What is the molecular weight of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one?
The molecular weight of 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one is 348.02 g/mol.
Where can I buy 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one?
You can request a quote for 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[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 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d] pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.