![2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/579/579446-27-8.png)
2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 579446-27-8) is a chemical compound with molecular formula C25H23BrN2OS3 and molecular weight 542.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(benzylthio)-4-((4-bromobenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C25H23BrN2OS3 |
|---|---|
| Molecular Weight | 542.02 g/mol |
| LogP | 7.8897 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.01556 |
| Heavy Atoms | 32 |
| Complexity | 1239.7745 |
Chemical Identifiers
| CAS Number | 579446-27-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SCC4=CC=CC=C4)SCC5=CC=C(C=C5)Br)C |
Product Overview
2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 579446-27-8), with molecular formula C25H23BrN2OS3 and molecular weight 542.02 g/mol. IUPAC: 5-benzylsulfanyl-3-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 7.8897 indicates that 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 579446-27-8.
What is the molecular formula of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C25H23BrN2OS3.
What is the molecular weight of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 542.02 g/mol.
Where can I buy 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.