![(Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/384/384372-95-6.png)
(Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 384372-95-6) is a chemical compound with molecular formula C26H24ClN3OS2 and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-5-[(Z)-3-chlorobut-2-enyl]sulfanyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-benzyl-2-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C26H24ClN3OS2 |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 6.2402 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.10492 |
| Heavy Atoms | 33 |
| Complexity | 1359.3185 |
Chemical Identifiers
| CAS Number | 384372-95-6 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5)/Cl |
Product Overview
(Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 384372-95-6), with molecular formula C26H24ClN3OS2 and molecular weight 493.10 g/mol. IUPAC: 11-benzyl-5-[(Z)-3-chlorobut-2-enyl]sulfanyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 6.2402 indicates that (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':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 38.13 Ų, (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':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, (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 384372-95-6.
What is the molecular formula of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C26H24ClN3OS2.
What is the molecular weight of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 493.10 g/mol.
Where can I buy (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':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 (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-benzyl-2-((3-chlorobut-2-en-1-yl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.