![(Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one structure](/static/products/488/488103-81-7.png)
(Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
TL;DR: (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 488103-81-7) is a chemical compound with molecular formula C23H23ClN4O2S2 and molecular weight 486.10 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-12,12-dimethyl-7-(3-methylphenyl)-13-oxa-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)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7,7-dimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C23H23ClN4O2S2 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 5.48932 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.0951 |
| Heavy Atoms | 32 |
| Complexity | 1443.9902 |
Chemical Identifiers
| CAS Number | 488103-81-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SC/C=C(/C)\Cl)SC5=C3CC(OC5)(C)C |
Product Overview
(Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 488103-81-7), with molecular formula C23H23ClN4O2S2 and molecular weight 486.10 g/mol. IUPAC: 3-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-7-(3-methylphenyl)-13-oxa-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)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
Property Insights of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
The XLogP value of 5.48932 indicates that (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one 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 (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The CAS number of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 488103-81-7.
What is the molecular formula of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular formula of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is C23H23ClN4O2S2.
What is the molecular weight of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular weight of (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 486.10 g/mol.
Where can I buy (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
You can request a quote for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-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)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-((3-chlorobut-2-en-1-yl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.