Tox21_300445
TL;DR: Tox21_300445 (CAS 353280-07-6) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: Tox21_300445, 2-(2,1,3-Benzoxadiazol-5-yloxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-3-pyridinecarboxamide, CAS-353280-07-6, 3-Pyridinecarboxamide, 2-(2,1,3-benzoxadiazol-5-yloxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-, 2-(benzo[2,1,3]oxadiazol-5-yloxy)-N-[4-(1-hydroxy-1-methyl-ethyl)-benzyl]-nicotinamide
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.5675 |
| Topological Polar Surface Area | 110.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1179.6946 |
Chemical Identifiers
| CAS Number | 353280-07-6 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC4=NON=C4C=C3)O |
Product Overview
Tox21_300445 (CAS 353280-07-6), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of Tox21_300445
Property Insights of Tox21_300445
The XLogP value of 3.5675 indicates that Tox21_300445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300445. Following Lipinski's Rule of Five, Tox21_300445 has 2 hydrogen bond donor(s) and 7 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 Tox21_300445?
The CAS number of Tox21_300445 is 353280-07-6.
What is the molecular formula of Tox21_300445?
The molecular formula of Tox21_300445 is C22H20N4O4.
What is the molecular weight of Tox21_300445?
The molecular weight of Tox21_300445 is 404.15 g/mol.
Where can I buy Tox21_300445?
You can request a quote for Tox21_300445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300445?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.