![3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3792/379236-99-4.webp)
3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 379236-99-4) is a chemical compound with molecular formula C19H13ClN2OS2 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(4-chlorophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, AF-399/40862808, 3-benzyl-5-(4-chlorophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, F1174-0472, 3-benzyl-5-(4-chlorophenyl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H13ClN2OS2 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 5.48929 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.01578 |
| Heavy Atoms | 25 |
| Complexity | 1158.2214 |
Chemical Identifiers
| CAS Number | 379236-99-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=S)SC=C3C4=CC=C(C=C4)Cl |
Product Overview
3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 379236-99-4), with molecular formula C19H13ClN2OS2 and molecular weight 384.02 g/mol. IUPAC: 3-benzyl-5-(4-chlorophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 5.48929 indicates that 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-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, 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 379236-99-4.
What is the molecular formula of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C19H13ClN2OS2.
What is the molecular weight of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 384.02 g/mol.
Where can I buy 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(4-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.