![2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/6867/686771-11-9.webp)
2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686771-11-9) is a chemical compound with molecular formula C19H15BrN2OS2 and molecular weight 429.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, F0579-0095, 2-{[(4-bromophenyl)methyl]sulfanyl}-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-[(4-bromophenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-5-one
| Molecular Formula | C19H15BrN2OS2 |
|---|---|
| Molecular Weight | 429.98 g/mol |
| LogP | 4.9355 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.98093 |
| Heavy Atoms | 25 |
| Complexity | 955.65326 |
Chemical Identifiers
| CAS Number | 686771-11-9 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=C(C=C4)Br |
Product Overview
2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686771-11-9), with molecular formula C19H15BrN2OS2 and molecular weight 429.98 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 4.9355 indicates that 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-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 34.89 Ų, 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 686771-11-9.
What is the molecular formula of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is C19H15BrN2OS2.
What is the molecular weight of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 429.98 g/mol.
Where can I buy 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-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 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-bromobenzyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.