![3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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/487/487025-25-2.png)
3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 487025-25-2) is a chemical compound with molecular formula C20H20Cl2N6S3 and molecular weight 510.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
| Molecular Formula | C20H20Cl2N6S3 |
|---|---|
| Molecular Weight | 510.03 g/mol |
| LogP | 6.3349 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.02887 |
| Heavy Atoms | 31 |
| Complexity | 1341.8877 |
Chemical Identifiers
| CAS Number | 487025-25-2 |
|---|---|
| SMILES | C/C(=C/CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C5=NN=C(N52)SC/C=C(/C)\Cl)/Cl |
Product Overview
3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine (CAS 487025-25-2), with molecular formula C20H20Cl2N6S3 and molecular weight 510.03 g/mol. IUPAC: 3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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 6.3349 indicates that 3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 487025-25-2.
What is the molecular formula of 3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is C20H20Cl2N6S3.
What is the molecular weight of 3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine is 510.03 g/mol.
Where can I buy 3,7-bis(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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(((Z)-3-chlorobut-2-en-1-yl)thio)-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.