![3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine structure](/static/products/487/487033-53-4.png)
3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
TL;DR: 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 487033-53-4) is a chemical compound with molecular formula C18H18N6S3 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-bis(prop-2-enylsulfanyl)-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine, 3,7-bis(prop-2-en-1-ylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
| Molecular Formula | C18H18N6S3 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 4.4217 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0755 |
| Heavy Atoms | 27 |
| Complexity | 1184.7869 |
Chemical Identifiers
| CAS Number | 487033-53-4 |
|---|---|
| SMILES | C=CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C5=NN=C(N52)SCC=C |
Product Overview
3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 487033-53-4), with molecular formula C18H18N6S3 and molecular weight 414.08 g/mol. IUPAC: 3,8-bis(prop-2-enylsulfanyl)-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
Chemical Property Profile of 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
Property Insights of 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
The XLogP value of 4.4217 indicates that 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 487033-53-4.
What is the molecular formula of 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is C18H18N6S3.
What is the molecular weight of 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 414.08 g/mol.
Where can I buy 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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(allylthio)-10,11,12,13-tetrahydrobenzo[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.