![2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine structure](/static/products/885/885459-45-0.png)
2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
TL;DR: 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 885459-45-0) is a chemical compound with molecular formula C18H16BrClN2S2 and molecular weight 437.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 5-{[(4-bromophenyl)sulfanyl]methyl}-3-chloro-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene, 2-(((4-Bromophenyl)thio)methyl)-4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 5-{[(4-bromophenyl)sulfanyl]methyl}-3-chloro-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene, 2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C18H16BrClN2S2 |
|---|---|
| Molecular Weight | 437.96 g/mol |
| LogP | 6.5243 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.96268 |
| Heavy Atoms | 24 |
| Complexity | 892.1653 |
Chemical Identifiers
| CAS Number | 885459-45-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC(=N3)CSC4=CC=C(C=C4)Br)Cl |
Product Overview
2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 885459-45-0), with molecular formula C18H16BrClN2S2 and molecular weight 437.96 g/mol. IUPAC: 2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Property Insights of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
The XLogP value of 6.5243 indicates that 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine 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 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The CAS number of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 885459-45-0.
What is the molecular formula of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular formula of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is C18H16BrClN2S2.
What is the molecular weight of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular weight of 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 437.96 g/mol.
Where can I buy 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
You can request a quote for 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-bromophenyl)thio]methyl}-4-chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.