![(Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one structure](/static/products/489/489444-38-4.png)
(Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
TL;DR: (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 489444-38-4) is a chemical compound with molecular formula C16H17ClN4OS2 and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-methyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C16H17ClN4OS2 |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 3.7562 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.05322 |
| Heavy Atoms | 24 |
| Complexity | 1026.4586 |
Chemical Identifiers
| CAS Number | 489444-38-4 |
|---|---|
| SMILES | C/C(=C/CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C)/Cl |
Product Overview
(Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 489444-38-4), with molecular formula C16H17ClN4OS2 and molecular weight 380.05 g/mol. IUPAC: 3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-methyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Property Insights of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
The XLogP value of 3.7562 indicates that (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one has 0 hydrogen bond donor(s) and 5 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 (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The CAS number of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 489444-38-4.
What is the molecular formula of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular formula of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is C16H17ClN4OS2.
What is the molecular weight of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular weight of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 380.05 g/mol.
Where can I buy (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
You can request a quote for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.