![3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine structure](/static/products/899/899391-68-5.png)
3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine
TL;DR: 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine (CAS 899391-68-5) is a chemical compound with molecular formula C21H17ClN6 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chloro-4-methylphenyl)-5-(2-phenylethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine, 7-(3-chloro-4-methylphenyl)-3-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 7-(3-chloro-4-methylphenyl)-3-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H17ClN6 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 4.21022 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.12033 |
| Heavy Atoms | 28 |
| Complexity | 1288.7583 |
Chemical Identifiers
| CAS Number | 899391-68-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)CCC5=CC=CC=C5)Cl |
Product Overview
3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine (CAS 899391-68-5), with molecular formula C21H17ClN6 and molecular weight 388.12 g/mol. IUPAC: 10-(3-chloro-4-methylphenyl)-5-(2-phenylethyl)-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-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine
Property Insights of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine
The XLogP value of 4.21022 indicates that 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]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-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine. Following Lipinski's Rule of Five, 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine has 0 hydrogen bond donor(s) and 4 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 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine?
The CAS number of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine is 899391-68-5.
What is the molecular formula of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine?
The molecular formula of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine is C21H17ClN6.
What is the molecular weight of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine?
The molecular weight of 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine is 388.12 g/mol.
Where can I buy 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine?
You can request a quote for 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-4-methylphenyl)-7-(2-phenylethyl)-6-hydropyrazolo[5,4-d]1,2,4-tria zolo[4,3-e]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.