![10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione structure](/static/products/578/578697-53-7.png)
10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione
TL;DR: 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione (CAS 578697-53-7) is a chemical compound with molecular formula C18H19N5S3 and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-methylpropyl)-18-methylsulfanyl-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,18-hexaene-16-thione
Also Known As: 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione, 10-(2-methylpropyl)-5-(methylsulfanyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
| Molecular Formula | C18H19N5S3 |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 4.95889 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.08026 |
| Heavy Atoms | 26 |
| Complexity | 1231.0298 |
Chemical Identifiers
| CAS Number | 578697-53-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C5=NNC(=S)N5C(=N4)SC |
Product Overview
10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione (CAS 578697-53-7), with molecular formula C18H19N5S3 and molecular weight 401.08 g/mol. IUPAC: 8-(2-methylpropyl)-18-methylsulfanyl-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,18-hexaene-16-thione.
Chemical Property Profile of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione
Property Insights of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione
The XLogP value of 4.95889 indicates that 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.87 Ų, 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione?
The CAS number of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione is 578697-53-7.
What is the molecular formula of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione?
The molecular formula of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione is C18H19N5S3.
What is the molecular weight of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione?
The molecular weight of 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione is 401.08 g/mol.
Where can I buy 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione?
You can request a quote for 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 10-isobutyl-5-(methylthio)-8,9-dihydro-2H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(7H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.