C22H13ClN6O
TL;DR: C22H13ClN6O (CAS 896850-44-5) is a chemical compound with molecular formula C22H13ClN6O and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[10-(4-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]naphthalen-2-ol
Also Known As: 3-[7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]naphthalen-2-ol, 3-(7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)naphthalen-2-ol, 3-[10-(4-CHLOROPHENYL)-3,5,6,8,10,11-HEXAAZATRICYCLO[7.3.0.0(2),?]DODECA-1(9),2,4,7,11-PENTAEN-4-YL]NAPHTHALEN-2-OL, 3-[3-(4-chlorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyrimidin-8-y l]naphthalen-2-ol
| Molecular Formula | C22H13ClN6O |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.6424 |
| Topological Polar Surface Area | 81.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.08392 |
| Heavy Atoms | 30 |
| Complexity | 1568.36 |
Chemical Identifiers
| CAS Number | 896850-44-5 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C3=NN4C=NC5=C(C4=N3)C=NN5C6=CC=C(C=C6)Cl)O |
Product Overview
C22H13ClN6O (CAS 896850-44-5), with molecular formula C22H13ClN6O and molecular weight 412.08 g/mol. IUPAC: 3-[10-(4-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]naphthalen-2-ol.
Chemical Property Profile of C22H13ClN6O
Property Insights of C22H13ClN6O
The XLogP value of 4.6424 indicates that C22H13ClN6O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.13 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H13ClN6O. Following Lipinski's Rule of Five, C22H13ClN6O has 1 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 C22H13ClN6O?
The CAS number of C22H13ClN6O is 896850-44-5.
What is the molecular formula of C22H13ClN6O?
The molecular formula of C22H13ClN6O is C22H13ClN6O.
What is the molecular weight of C22H13ClN6O?
The molecular weight of C22H13ClN6O is 412.08 g/mol.
Where can I buy C22H13ClN6O?
You can request a quote for C22H13ClN6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H13ClN6O?
Yes, KEHONG BIO provides custom synthesis services for C22H13ClN6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.