![(E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3082/308298-93-3.webp)
(E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 308298-93-3) is a chemical compound with molecular formula C25H25N5OS3 and molecular weight 507.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F0857-0002, 2-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-({[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C25H25N5OS3 |
|---|---|
| Molecular Weight | 507.12 g/mol |
| LogP | 5.7387 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.12213 |
| Heavy Atoms | 34 |
| Complexity | 1387.0643 |
Chemical Identifiers
| CAS Number | 308298-93-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 |
Product Overview
(E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 308298-93-3), with molecular formula C25H25N5OS3 and molecular weight 507.12 g/mol. IUPAC: 2-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.7387 indicates that (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 1 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 (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 308298-93-3.
What is the molecular formula of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C25H25N5OS3.
What is the molecular weight of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 507.12 g/mol.
Where can I buy (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.