![3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4991/499102-84-0.webp)
3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 499102-84-0) is a chemical compound with molecular formula C25H23ClN2OS2 and molecular weight 466.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2,5-dimethylphenyl)methylthio]-3-(4-chlorophenyl)-3,5,6,7,8-pentahydrobenz o[b]thiopheno[2,3-d]pyrimidin-4-one, 3-(4-chlorophenyl)-2-((2,5-dimethylbenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H23ClN2OS2 |
|---|---|
| Molecular Weight | 466.09 g/mol |
| LogP | 6.88854 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.09402 |
| Heavy Atoms | 31 |
| Complexity | 1338.6338 |
Chemical Identifiers
| CAS Number | 499102-84-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 499102-84-0), with molecular formula C25H23ClN2OS2 and molecular weight 466.09 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 6.88854 indicates that 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)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 34.89 Ų, 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)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-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 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 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 499102-84-0.
What is the molecular formula of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C25H23ClN2OS2.
What is the molecular weight of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 466.09 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)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-chlorophenyl)-2-[(2,5-dimethylbenzyl)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-chlorophenyl)-2-[(2,5-dimethylbenzyl)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.