C21H17ClN6O2
TL;DR: C21H17ClN6O2 (CAS 848727-26-4) is a chemical compound with molecular formula C21H17ClN6O2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 4-[3-(3-chloro-4-methylphenyl)(6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,5-e]pyri midin-7-yl)]-1,2-dimethoxybenzene, 7-(3-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H17ClN6O2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.10922 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11014 |
| Heavy Atoms | 30 |
| Complexity | 1407.939 |
Chemical Identifiers
| CAS Number | 848727-26-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)C5=CC(=C(C=C5)OC)OC)Cl |
Product Overview
C21H17ClN6O2 (CAS 848727-26-4), with molecular formula C21H17ClN6O2 and molecular weight 420.11 g/mol. IUPAC: 10-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C21H17ClN6O2
Property Insights of C21H17ClN6O2
The XLogP value of 4.10922 indicates that C21H17ClN6O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H17ClN6O2. Following Lipinski's Rule of Five, C21H17ClN6O2 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 C21H17ClN6O2?
The CAS number of C21H17ClN6O2 is 848727-26-4.
What is the molecular formula of C21H17ClN6O2?
The molecular formula of C21H17ClN6O2 is C21H17ClN6O2.
What is the molecular weight of C21H17ClN6O2?
The molecular weight of C21H17ClN6O2 is 420.11 g/mol.
Where can I buy C21H17ClN6O2?
You can request a quote for C21H17ClN6O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H17ClN6O2?
Yes, KEHONG BIO provides custom synthesis services for C21H17ClN6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.