![1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one structure](/static/products/371/371206-89-2.png)
1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
TL;DR: 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 371206-89-2) is a chemical compound with molecular formula C25H30N4O2S2 and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutylsulfanyl)-7-(4-methylphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 1-[(3-methylbutyl)sulfanyl]-4-(4-methylphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H30N4O2S2 |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | 5.63882 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.18103 |
| Heavy Atoms | 33 |
| Complexity | 1365.5708 |
Chemical Identifiers
| CAS Number | 371206-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCC(C)C)SC5=C3CC(OC5)C(C)C |
Product Overview
1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 371206-89-2), with molecular formula C25H30N4O2S2 and molecular weight 482.18 g/mol. IUPAC: 3-(3-methylbutylsulfanyl)-7-(4-methylphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
Property Insights of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
The XLogP value of 5.63882 indicates that 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The CAS number of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 371206-89-2.
What is the molecular formula of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular formula of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is C25H30N4O2S2.
What is the molecular weight of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular weight of 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 482.18 g/mol.
Where can I buy 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
You can request a quote for 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.