![4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/849/849924-19-2.png)
4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 849924-19-2) is a chemical compound with molecular formula C22H30N4O3S2 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-diethoxyethylsulfanyl)-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(2,2-diethoxyethyl)sulfanyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C22H30N4O3S2 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 4.83634 |
| Topological Polar Surface Area | 71.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.17593 |
| Heavy Atoms | 31 |
| Complexity | 1070.5708 |
Chemical Identifiers
| CAS Number | 849924-19-2 |
|---|---|
| SMILES | CCOC(CSC1=NC(=NC2=C1C3=C(S2)COC(C3)(C)C)N4C(=CC(=N4)C)C)OCC |
Product Overview
4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 849924-19-2), with molecular formula C22H30N4O3S2 and molecular weight 462.18 g/mol. IUPAC: 3-(2,2-diethoxyethylsulfanyl)-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 4.83634 indicates that 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 8 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 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 849924-19-2.
What is the molecular formula of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C22H30N4O3S2.
What is the molecular weight of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 462.18 g/mol.
Where can I buy 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':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 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,2-diethoxyethyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.