RefChem:79939
TL;DR: RefChem:79939 (CAS 64611-96-7) is a chemical compound with molecular formula C21H22ClN5O and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-benzyl-3-[(2-methyl-1H-indol-3-yl)diazenyl]pyrazol-1-ium-1-yl]ethanol chloride
Also Known As: 2-benzyl-1-3-[azo]-1h-pyrazoliumchloride, 2-Benzyl-1-(2-hydroxyethyl)-3-((2-methyl-1H-indol-3-yl)azo)-1H-pyrazolium chloride, 1H-Pyrazolium, 1-(2-hydroxyethyl)-3-((2-methyl-1H-indol-3-yl)azo)-2-(phenylmethyl)-, chloride, N-phenyl-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide, 1H-Pyrazolium, 1-(2-hydroxyethyl)-3-(2-(2-methyl-1H-indol-3-yl)diazenyl)-2-(phenylmethyl)-, chloride (1:1)
| Molecular Formula | C21H22ClN5O |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 1.03 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.15128 |
| Heavy Atoms | 28 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 64611-96-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)N=NC3=CC=[N+](N3CC4=CC=CC=C4)CCO.[Cl-] |
| InChIKey | AWGMEBBQSQKKDQ-UHFFFAOYSA-N |
Product Overview
RefChem:79939 (CAS 64611-96-7), with molecular formula C21H22ClN5O and molecular weight 395.15 g/mol. IUPAC: 2-[2-benzyl-3-[(2-methyl-1H-indol-3-yl)diazenyl]pyrazol-1-ium-1-yl]ethanol chloride.
Chemical Property Profile of RefChem:79939
Property Insights of RefChem:79939
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79939. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79939. Following Lipinski's Rule of Five, RefChem:79939 has 2 hydrogen bond donor(s) and 4 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:79939?
The CAS number of RefChem:79939 is 64611-96-7.
What is the molecular formula of RefChem:79939?
The molecular formula of RefChem:79939 is C21H22ClN5O.
What is the molecular weight of RefChem:79939?
The molecular weight of RefChem:79939 is 395.15 g/mol.
Where can I buy RefChem:79939?
You can request a quote for RefChem:79939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.