![3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/845/845629-65-4.png)
3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 845629-65-4) is a chemical compound with molecular formula C23H21ClN6 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-10-(3-chloro-4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(4-(tert-butyl)phenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 7-[4-(tert-butyl)phenyl]-3-(3-chloro-4-methylphenyl)-6-hydropyrazolo[5,4-d]1,2 ,4-triazolo[4,3-e]pyrimidine
| Molecular Formula | C23H21ClN6 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 5.38952 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.1516 |
| Heavy Atoms | 30 |
| Complexity | 1389.5326 |
Chemical Identifiers
| CAS Number | 845629-65-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)C5=CC=C(C=C5)C(C)(C)C)Cl |
Product Overview
3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 845629-65-4), with molecular formula C23H21ClN6 and molecular weight 416.15 g/mol. IUPAC: 5-(4-tert-butylphenyl)-10-(3-chloro-4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.38952 indicates that 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-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 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is 845629-65-4.
What is the molecular formula of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is C23H21ClN6.
What is the molecular weight of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is 416.15 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-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 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.