C20H14ClN7O
TL;DR: C20H14ClN7O (CAS 586995-54-2) is a chemical compound with molecular formula C20H14ClN7O and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-chlorophenyl)-N-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine
Also Known As: (E)-1-(2-chlorophenyl)-N-[(7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine, (E)-2-chlorobenzaldehyde O-((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
| Molecular Formula | C20H14ClN7O |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.6673 |
| Topological Polar Surface Area | 82.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.09485 |
| Heavy Atoms | 29 |
| Complexity | 1326.9497 |
Chemical Identifiers
| CAS Number | 586995-54-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)CO/N=C/C5=CC=CC=C5Cl |
Product Overview
C20H14ClN7O (CAS 586995-54-2), with molecular formula C20H14ClN7O and molecular weight 403.09 g/mol. IUPAC: (E)-1-(2-chlorophenyl)-N-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine.
Chemical Property Profile of C20H14ClN7O
Property Insights of C20H14ClN7O
The XLogP value of 3.6673 indicates that C20H14ClN7O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.49 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H14ClN7O. Following Lipinski's Rule of Five, C20H14ClN7O 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 C20H14ClN7O?
The CAS number of C20H14ClN7O is 586995-54-2.
What is the molecular formula of C20H14ClN7O?
The molecular formula of C20H14ClN7O is C20H14ClN7O.
What is the molecular weight of C20H14ClN7O?
The molecular weight of C20H14ClN7O is 403.09 g/mol.
Where can I buy C20H14ClN7O?
You can request a quote for C20H14ClN7O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H14ClN7O?
Yes, KEHONG BIO provides custom synthesis services for C20H14ClN7O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.