![3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine structure](/static/products/488/488137-95-7.png)
3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
TL;DR: 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 488137-95-7) is a chemical compound with molecular formula C19H20N6S3 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-bis(2-methylprop-2-enylsulfanyl)-18-thia-2,4,5,7,9,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene
Also Known As: 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine, 3,7-bis[(2-methylprop-2-en-1-yl)sulfanyl]-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
| Molecular Formula | C19H20N6S3 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 4.8118 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.09116 |
| Heavy Atoms | 28 |
| Complexity | 1261.6339 |
Chemical Identifiers
| CAS Number | 488137-95-7 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C5=NN=C(N52)SCC(=C)C |
Product Overview
3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 488137-95-7), with molecular formula C19H20N6S3 and molecular weight 428.09 g/mol. IUPAC: 3,8-bis(2-methylprop-2-enylsulfanyl)-18-thia-2,4,5,7,9,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene.
Chemical Property Profile of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
Property Insights of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
The XLogP value of 4.8118 indicates that 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine. Following Lipinski's Rule of Five, 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine has 0 hydrogen bond donor(s) and 7 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 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine?
The CAS number of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 488137-95-7.
What is the molecular formula of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine?
The molecular formula of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is C19H20N6S3.
What is the molecular weight of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine?
The molecular weight of 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 428.09 g/mol.
Where can I buy 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine?
You can request a quote for 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.