![2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/850/850752-75-9.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 850752-75-9) is a chemical compound with molecular formula C19H24N4OS2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-4-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C19H24N4OS2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.84564 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.13916 |
| Heavy Atoms | 26 |
| Complexity | 987.24414 |
Chemical Identifiers
| CAS Number | 850752-75-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SC(C)C)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 850752-75-9), with molecular formula C19H24N4OS2 and molecular weight 388.14 g/mol. IUPAC: 5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 4.84564 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-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. With a topological polar surface area (TPSA) of 52.83 Ų, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':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-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 6 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-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 850752-75-9.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C19H24N4OS2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 388.14 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(isopropylthio)-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.