C22H14N6O structure

C22H14N6O

TL;DR: C22H14N6O (CAS 896849-56-2) is a chemical compound with molecular formula C22H14N6O and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

3-(10-phenyl-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: AO-022/43453350, 3-(7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)naphthalen-2-ol, 3-(3-phenyl-6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyrimidin-8-yl)naphthal en-2-ol, 3-(7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

CAS: 896849-56-2
Molecular Formula C22H14N6O
Molecular Weight 378.12 g/mol
LogP 3.989
Topological Polar Surface Area 81.13 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 378.1229
Heavy Atoms 29
Complexity 1516.8286

Chemical Identifiers

CAS Number 896849-56-2
SMILES C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)C5=CC6=CC=CC=C6C=C5O

Product Overview

C22H14N6O (CAS 896849-56-2), with molecular formula C22H14N6O and molecular weight 378.12 g/mol. IUPAC: 3-(10-phenyl-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.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of C22H14N6O

XLogP
3.989
TPSA (Topological Polar Surface Area)
81.13
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
29
Complexity
1516.8286
Exact Mass
378.1229
Monoisotopic Mass
378.1229
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of C22H14N6O

The XLogP value of 3.989 indicates that C22H14N6O 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 C22H14N6O. Following Lipinski's Rule of Five, C22H14N6O 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of C22H14N6O?

The CAS number of C22H14N6O is 896849-56-2.

What is the molecular formula of C22H14N6O?

The molecular formula of C22H14N6O is C22H14N6O.

What is the molecular weight of C22H14N6O?

The molecular weight of C22H14N6O is 378.12 g/mol.

Where can I buy C22H14N6O?

You can request a quote for C22H14N6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for C22H14N6O?

Yes, KEHONG BIO provides custom synthesis services for C22H14N6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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