![3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7442/744227-39-2.webp)
3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 744227-39-2) is a chemical compound with molecular formula C20H15ClN2OS2 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-benzyl-5-(3-chlorophenyl)-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one, 3-Benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanylidene-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C20H15ClN2OS2 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 5.79771 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.03143 |
| Heavy Atoms | 26 |
| Complexity | 1222.2692 |
Chemical Identifiers
| CAS Number | 744227-39-2 |
|---|---|
| SMILES | CC1=C(C2=C(S1)NC(=S)N(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl |
Product Overview
3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 744227-39-2), with molecular formula C20H15ClN2OS2 and molecular weight 398.03 g/mol. IUPAC: 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 5.79771 indicates that 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[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, 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-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-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 744227-39-2.
What is the molecular formula of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C20H15ClN2OS2.
What is the molecular weight of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 398.03 g/mol.
Where can I buy 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[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 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(3-chlorophenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.