C20H15ClN6O
TL;DR: C20H15ClN6O (CAS 488086-22-2) is a chemical compound with molecular formula C20H15ClN6O and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenoxy)methyl]-10-(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-chlorophenoxy)methyl)-7-(p-tolyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(4-chlorophenoxy)methyl]-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C20H15ClN6O |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.00402 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.09958 |
| Heavy Atoms | 28 |
| Complexity | 1274.3083 |
Chemical Identifiers
| CAS Number | 488086-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)COC5=CC=C(C=C5)Cl |
Product Overview
C20H15ClN6O (CAS 488086-22-2), with molecular formula C20H15ClN6O and molecular weight 390.10 g/mol. IUPAC: 5-[(4-chlorophenoxy)methyl]-10-(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 C20H15ClN6O
Property Insights of C20H15ClN6O
The XLogP value of 4.00402 indicates that C20H15ClN6O 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 C20H15ClN6O. Following Lipinski's Rule of Five, C20H15ClN6O has 0 hydrogen bond donor(s) and 5 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 C20H15ClN6O?
The CAS number of C20H15ClN6O is 488086-22-2.
What is the molecular formula of C20H15ClN6O?
The molecular formula of C20H15ClN6O is C20H15ClN6O.
What is the molecular weight of C20H15ClN6O?
The molecular weight of C20H15ClN6O is 390.10 g/mol.
Where can I buy C20H15ClN6O?
You can request a quote for C20H15ClN6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H15ClN6O?
Yes, KEHONG BIO provides custom synthesis services for C20H15ClN6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.