![2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine structure](/static/products/850/850156-59-1.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 850156-59-1) is a chemical compound with molecular formula C22H21FN4S2 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)-4-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C22H21FN4S2 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 5.80404 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.11917 |
| Heavy Atoms | 29 |
| Complexity | 1193.967 |
Chemical Identifiers
| CAS Number | 850156-59-1 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCC5=CC=C(C=C5)F)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 850156-59-1), with molecular formula C22H21FN4S2 and molecular weight 424.12 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
The XLogP value of 5.80404 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[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 43.6 Ų, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 850156-59-1.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is C22H21FN4S2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 424.12 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[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-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.