![(E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/496/496771-84-7.png)
(E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 496771-84-7) is a chemical compound with molecular formula C15H17ClN2OS2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C15H17ClN2OS2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 4.1085 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0471 |
| Heavy Atoms | 21 |
| Complexity | 772.05206 |
Chemical Identifiers
| CAS Number | 496771-84-7 |
|---|---|
| SMILES | C/C(=C\CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C)/Cl |
Product Overview
(E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 496771-84-7), with molecular formula C15H17ClN2OS2 and molecular weight 340.05 g/mol. IUPAC: 2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.1085 indicates that (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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 (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 496771-84-7.
What is the molecular formula of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C15H17ClN2OS2.
What is the molecular weight of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 340.05 g/mol.
Where can I buy (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3-chlorobut-2-en-1-yl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.