RefChem:79943
TL;DR: RefChem:79943 (CAS 68123-01-3) is a chemical compound with molecular formula C22H28ClN5O and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol chloride
Also Known As: 1H-Pyrazolium, 5-((4-(diethylamino)phenyl)azo)-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride, 1H-Pyrazolium, 5-(2-(4-(diethylamino)phenyl)diazenyl)-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1), 1-benzyl-5-{(e)-[4-(diethylamino)phenyl]diazenyl}-2-(2-hydroxyethyl)-1h-pyrazol-2-ium chloride, 1H-Pyrazolium, 5-[[4-(diethylamino)phenyl]azo]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride, 2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol chloride
| Molecular Formula | C22H28ClN5O |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.19824 |
| Heavy Atoms | 29 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 68123-01-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2CC3=CC=CC=C3)CCO.[Cl-] |
| InChIKey | MYSTVFDGIQCCES-UHFFFAOYSA-M |
Product Overview
RefChem:79943 (CAS 68123-01-3), with molecular formula C22H28ClN5O and molecular weight 413.20 g/mol. IUPAC: 2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol chloride.
Chemical Property Profile of RefChem:79943
Property Insights of RefChem:79943
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79943. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:79943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79943 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 RefChem:79943?
The CAS number of RefChem:79943 is 68123-01-3.
What is the molecular formula of RefChem:79943?
The molecular formula of RefChem:79943 is C22H28ClN5O.
What is the molecular weight of RefChem:79943?
The molecular weight of RefChem:79943 is 413.20 g/mol.
Where can I buy RefChem:79943?
You can request a quote for RefChem:79943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79943?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.