RefChem:79942
TL;DR: RefChem:79942 (CAS 89923-55-7) is a chemical compound with molecular formula C21H22ClN5 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2-dimethylindol-3-yl)-(1,5-dimethyl-2-phenylpyrazol-2-ium-3-yl)diazene chloride
Also Known As: 3-((1,2-Dimethyl-1H-indol-3-yl)azo)-1,5-dimethyl-2-phenyl-1H-pyrazolium chloride, 3-[azo]-1,5-dimethyl-2-phenyl-1h-pyrazoliumchloride, 1H-Pyrazolium, 3-((1,2-dimethyl-1H-indol-3-yl)azo)-1,5-dimethyl-2-phenyl-, chloride, 1H-Pyrazolium, 3-(2-(1,2-dimethyl-1H-indol-3-yl)diazenyl)-1,5-dimethyl-2-phenyl-, chloride (1:1), 1H-Pyrazolium, 3-[(1,2-dimethyl-1H-indol-3-yl)azo]-1,5-dimethyl-2-phenyl-, chloride
| Molecular Formula | C21H22ClN5 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 1.82974 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.15637 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 89923-55-7 |
|---|---|
| SMILES | CC1=CC(=[N+](N1C)C2=CC=CC=C2)N=NC3=C(N(C4=CC=CC=C43)C)C.[Cl-] |
| InChIKey | VHYVLIRUHIJBFC-UHFFFAOYSA-M |
Product Overview
RefChem:79942 (CAS 89923-55-7), with molecular formula C21H22ClN5 and molecular weight 379.16 g/mol. IUPAC: (1,2-dimethylindol-3-yl)-(1,5-dimethyl-2-phenylpyrazol-2-ium-3-yl)diazene chloride.
Chemical Property Profile of RefChem:79942
Property Insights of RefChem:79942
The XLogP value of 1.82974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79942. With a topological polar surface area (TPSA) of 38.5 Ų, RefChem:79942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79942 has 0 hydrogen bond donor(s) and 3 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:79942?
The CAS number of RefChem:79942 is 89923-55-7.
What is the molecular formula of RefChem:79942?
The molecular formula of RefChem:79942 is C21H22ClN5.
What is the molecular weight of RefChem:79942?
The molecular weight of RefChem:79942 is 379.16 g/mol.
Where can I buy RefChem:79942?
You can request a quote for RefChem:79942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.