![4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one structure](/static/products/374/374544-33-9.png)
4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
TL;DR: 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 374544-33-9) is a chemical compound with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-methoxyphenyl)-12-(2-methylprop-2-enylsulfanyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-17-one
Also Known As: 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-(4-methoxyphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C23H24N4O2S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 5.0406 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.13406 |
| Heavy Atoms | 31 |
| Complexity | 1348.4128 |
Chemical Identifiers
| CAS Number | 374544-33-9 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC |
Product Overview
4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 374544-33-9), with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol. IUPAC: 16-(4-methoxyphenyl)-12-(2-methylprop-2-enylsulfanyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-17-one.
Chemical Property Profile of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Property Insights of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
The XLogP value of 5.0406 indicates that 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-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 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-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 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The CAS number of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 374544-33-9.
What is the molecular formula of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular formula of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is C23H24N4O2S2.
What is the molecular weight of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular weight of 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 452.13 g/mol.
Where can I buy 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
You can request a quote for 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methoxyphenyl)-1-((2-methylallyl)thio)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.