![3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/676/676248-08-1.png)
3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 676248-08-1) is a chemical compound with molecular formula C22H23BrN2O2S2 and molecular weight 490.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-(oxan-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-(oxan-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H23BrN2O2S2 |
|---|---|
| Molecular Weight | 490.04 g/mol |
| LogP | 5.7497 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.03842 |
| Heavy Atoms | 29 |
| Complexity | 1084.8707 |
Chemical Identifiers
| CAS Number | 676248-08-1 |
|---|---|
| SMILES | C1CCOC(C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br |
Product Overview
3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 676248-08-1), with molecular formula C22H23BrN2O2S2 and molecular weight 490.04 g/mol. IUPAC: 3-(4-bromophenyl)-2-(oxan-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.7497 indicates that 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[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 44.12 Ų, 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[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, 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[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 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 676248-08-1.
What is the molecular formula of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C22H23BrN2O2S2.
What is the molecular weight of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 490.04 g/mol.
Where can I buy 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[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 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-2-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.