![3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/6132/613226-75-8.webp)
3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 613226-75-8) is a chemical compound with molecular formula C26H26N2O2S2 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-ethoxyphenyl)-2-((3-methylbenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H26N2O2S2 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 6.32542 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1436 |
| Heavy Atoms | 32 |
| Complexity | 1322.4072 |
Chemical Identifiers
| CAS Number | 613226-75-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC(=C4)C)SC5=C3CCCC5 |
Product Overview
3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 613226-75-8), with molecular formula C26H26N2O2S2 and molecular weight 462.14 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 6.32542 indicates that 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[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 44.12 Ų, 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[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 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 613226-75-8.
What is the molecular formula of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C26H26N2O2S2.
What is the molecular weight of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 462.14 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[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 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.