![10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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/799/799780-73-7.png)
10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799780-73-7) is a chemical compound with molecular formula C22H22N4OS3 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-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: 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(cinnamylthio)-10,10-dimethyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C22H22N4OS3 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 5.7177 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.09558 |
| Heavy Atoms | 30 |
| Complexity | 1243.9752 |
Chemical Identifiers
| CAS Number | 799780-73-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SC/C=C/C5=CC=CC=C5)C |
Product Overview
10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799780-73-7), with molecular formula C22H22N4OS3 and molecular weight 454.10 g/mol. IUPAC: 14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 5.7177 indicates that 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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, 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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, 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 799780-73-7.
What is the molecular formula of 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C22H22N4OS3.
What is the molecular weight of 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 454.10 g/mol.
Where can I buy 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]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.