![2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone structure](/static/products/889/889794-18-7.png)
2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
TL;DR: 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone (CAS 889794-18-7) is a chemical compound with molecular formula C25H23N5OS2 and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(2-methylpropyl)-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-16-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone, 2-{[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C25H23N5OS2 |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 5.5494 |
| Topological Polar Surface Area | 73.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.1344 |
| Heavy Atoms | 33 |
| Complexity | 1520.4779 |
Chemical Identifiers
| CAS Number | 889794-18-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)C6=CC=CC=C6 |
Product Overview
2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone (CAS 889794-18-7), with molecular formula C25H23N5OS2 and molecular weight 473.13 g/mol. IUPAC: 2-[[8-(2-methylpropyl)-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-16-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
Property Insights of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
The XLogP value of 5.5494 indicates that 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone 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 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The CAS number of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is 889794-18-7.
What is the molecular formula of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The molecular formula of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is C25H23N5OS2.
What is the molecular weight of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The molecular weight of 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is 473.13 g/mol.
Where can I buy 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
You can request a quote for 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.