![5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/573/573950-64-8.png)
5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 573950-64-8) is a chemical compound with molecular formula C24H28N4OS3 and molecular weight 484.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzylsulfanyl-14,14-dimethyl-5-(3-methylbutylsulfanyl)-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-(BENZYLSULFANYL)-3-(ISOPENTYLSULFANYL)-10,10-DIMETHYL-10,11-DIHYDRO-8H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE, 5-(benzylthio)-3-(isopentylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C24H28N4OS3 |
|---|---|
| Molecular Weight | 484.14 g/mol |
| LogP | 6.6208 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.14252 |
| Heavy Atoms | 32 |
| Complexity | 1246.8369 |
Chemical Identifiers
| CAS Number | 573950-64-8 |
|---|---|
| SMILES | CC(C)CCSC1=NN=C2N1C(=NC3=C2C4=C(S3)COC(C4)(C)C)SCC5=CC=CC=C5 |
Product Overview
5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 573950-64-8), with molecular formula C24H28N4OS3 and molecular weight 484.14 g/mol. IUPAC: 7-benzylsulfanyl-14,14-dimethyl-5-(3-methylbutylsulfanyl)-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 6.6208 indicates that 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 573950-64-8.
What is the molecular formula of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C24H28N4OS3.
What is the molecular weight of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 484.14 g/mol.
Where can I buy 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-10,10-dimethyl-3-[(3-methylbutyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.