![[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- structure](/static/products/6132/613227-83-1.webp)
[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-
TL;DR: [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- (CAS 613227-83-1) is a chemical compound with molecular formula C20H19ClN2OS2 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-|3-(4-chlorophenyl)-2-((2-methylallyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-(4-chlorophenyl)-2-[(2-methyl-2-propenyl)thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-Chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio][1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-(4-chlorophenyl)-2-(2-methylprop-2-enylthio)-3,5,6,7,8-pentahydrobenzo[b]thi opheno[2,3-d]pyrimidin-4-one|3-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-Chlorophenyl)-5,6,7,8-tetrahydro-2-((2-methyl-2-propen-1-yl)thio)(1)benzothieno(2,3-d)pyrimidin-4(3H)-one|RefChem:274511
| Molecular Formula | C20H19ClN2OS2 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 5.6476 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.06274 |
| Heavy Atoms | 26 |
| Complexity | 1050.3438 |
Chemical Identifiers
| CAS Number | 613227-83-1 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl |
Product Overview
[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- (CAS 613227-83-1), with molecular formula C20H19ClN2OS2 and molecular weight 402.06 g/mol. IUPAC: 3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-
Property Insights of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-
The XLogP value of 5.6476 indicates that [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-?
The CAS number of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- is 613227-83-1.
What is the molecular formula of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-?
The molecular formula of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- is C20H19ClN2OS2.
What is the molecular weight of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-?
The molecular weight of [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- is 402.06 g/mol.
Where can I buy [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-?
You can request a quote for [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.