![5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/849/849915-45-3.png)
5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 849915-45-3) is a chemical compound with molecular formula C25H26N6OS2 and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,5-dimethylpyrazol-1-yl)-14,14-dimethyl-5-(2-phenylethylsulfanyl)-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-[(2-phenylethyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C25H26N6OS2 |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 5.32764 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.16095 |
| Heavy Atoms | 34 |
| Complexity | 1515.2771 |
Chemical Identifiers
| CAS Number | 849915-45-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C5=NN=C(N52)SCCC6=CC=CC=C6)C |
Product Overview
5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 849915-45-3), with molecular formula C25H26N6OS2 and molecular weight 490.16 g/mol. IUPAC: 7-(3,5-dimethylpyrazol-1-yl)-14,14-dimethyl-5-(2-phenylethylsulfanyl)-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.32764 indicates that 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 849915-45-3.
What is the molecular formula of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C25H26N6OS2.
What is the molecular weight of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 490.16 g/mol.
Where can I buy 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-dimethyl-1H-pyrazol-1-yl)-10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.