![2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine structure](/static/products/958/958944-13-3.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 958944-13-3) is a chemical compound with molecular formula C21H27N5OS2 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethyl]morpholine
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 2-(3,5-Dimethyl-pyrazol-1-yl)-4-(2-morpholin-4-yl-ethylsulfanyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3- d]pyrimidine, 4-(2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethyl)morpholine, 4-[2-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethyl]morpholine
| Molecular Formula | C21H27N5OS2 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 3.79694 |
| Topological Polar Surface Area | 56.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1657 |
| Heavy Atoms | 29 |
| Complexity | 1021.9154 |
Chemical Identifiers
| CAS Number | 958944-13-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCCN5CCOCC5)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 958944-13-3), with molecular formula C21H27N5OS2 and molecular weight 429.17 g/mol. IUPAC: 4-[2-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethyl]morpholine.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
The XLogP value of 3.79694 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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 56.07 Ų, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 958944-13-3.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is C21H27N5OS2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 429.17 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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.