![3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4991/499102-91-9.webp)
3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 499102-91-9) is a chemical compound with molecular formula C23H17Cl3N2OS2 and molecular weight 505.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-2-((2,4-dichlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2,4-dichlorophenyl)methylthio]-3-(4-chlorophenyl)-3,5,6,7,8-pentahydrobenz o[b]thiopheno[2,3-d]pyrimidin-4-one, 3-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 4-(4-CHLOROPHENYL)-5-{[(2,4-DICHLOROPHENYL)METHYL]SULFANYL}-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
| Molecular Formula | C23H17Cl3N2OS2 |
|---|---|
| Molecular Weight | 505.98 g/mol |
| LogP | 7.5785 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.9848 |
| Heavy Atoms | 31 |
| Complexity | 1345.9333 |
Chemical Identifiers
| CAS Number | 499102-91-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC5=C(C=C(C=C5)Cl)Cl |
Product Overview
3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 499102-91-9), with molecular formula C23H17Cl3N2OS2 and molecular weight 505.98 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 7.5785 indicates that 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 499102-91-9.
What is the molecular formula of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C23H17Cl3N2OS2.
What is the molecular weight of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 505.98 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)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-[(2,4-dichlorobenzyl)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.