![2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/674/674818-29-2.png)
2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 674818-29-2) is a chemical compound with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-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)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(benzylthio)-6,6-dimethyl-4-((4-nitrobenzyl)thio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C25H23N3O3S3 |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 7.0354 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.09015 |
| Heavy Atoms | 34 |
| Complexity | 1338.5323 |
Chemical Identifiers
| CAS Number | 674818-29-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SCC4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 674818-29-2), with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-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)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 7.0354 indicates that 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-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. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 8 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)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 674818-29-2.
What is the molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C25H23N3O3S3.
What is the molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 509.09 g/mol.
Where can I buy 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-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)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-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.