![2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine structure](/static/products/5855/585562-72-7.webp)
2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine
TL;DR: 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine (CAS 585562-72-7) is a chemical compound with molecular formula C27H24N6S3 and molecular weight 528.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine, (E)-2-(((5-(cinnamylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)thio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, 10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine, 2-{[(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5 ,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine
| Molecular Formula | C27H24N6S3 |
|---|---|
| Molecular Weight | 528.12 g/mol |
| LogP | 6.4407 |
| Topological Polar Surface Area | 82.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.12244 |
| Heavy Atoms | 36 |
| Complexity | 1525.9663 |
Chemical Identifiers
| CAS Number | 585562-72-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=NN=C(N4C5=CC=CC=C5)SC/C=C/C6=CC=CC=C6 |
Product Overview
2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine (CAS 585562-72-7), with molecular formula C27H24N6S3 and molecular weight 528.12 g/mol. IUPAC: 10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine
Property Insights of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine
The XLogP value of 6.4407 indicates that 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine. Following Lipinski's Rule of Five, 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine has 1 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-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine?
The CAS number of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine is 585562-72-7.
What is the molecular formula of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine?
The molecular formula of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine is C27H24N6S3.
What is the molecular weight of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine?
The molecular weight of 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine is 528.12 g/mol.
Where can I buy 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine?
You can request a quote for 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.