![(E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/489/489422-98-2.png)
(E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 489422-98-2) is a chemical compound with molecular formula C17H19ClN4S3 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-chlorobut-2-enyl]sulfanyl-7-ethylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C17H19ClN4S3 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 5.5645 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.04605 |
| Heavy Atoms | 25 |
| Complexity | 956.0054 |
Chemical Identifiers
| CAS Number | 489422-98-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SC/C=C(\C)/Cl |
Product Overview
(E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 489422-98-2), with molecular formula C17H19ClN4S3 and molecular weight 410.05 g/mol. IUPAC: 5-[(E)-3-chlorobut-2-enyl]sulfanyl-7-ethylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.5645 indicates that (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine 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 (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 489422-98-2.
What is the molecular formula of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C17H19ClN4S3.
What is the molecular weight of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 410.05 g/mol.
Where can I buy (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[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 (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-chlorobut-2-en-1-yl)thio)-5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.