RefChem:417267
TL;DR: RefChem:417267 (CAS 29508-48-3) is a chemical compound with molecular formula C21H25N5O4S and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-2-phenyl-1,5-dihydropyrazol-1-ium-3-yl)-(2-methyl-1H-indol-3-yl)diazene;methyl sulfate
Also Known As: 1,5-Dimethyl-3-((2-methyl-1H-indol-3-yl)azo)-2-phenyl-1H-pyrazolium methyl sulphate, 1H-Pyrazolium, 1,5-dimethyl-3-((2-methyl-1H-indol-3-yl)azo)-2-phenyl-, methyl sulfate, 1H-Pyrazolium, 1,5-dimethyl-3-[(2-methyl-1H-indol-3-yl)azo]-2-phenyl-, methyl sulfate, Pyrazolium, 2,3-dimethyl-5-((2-methylindol-3-yl)azo)-1-phenyl-, methyl sulfate, 1,5-dimethyl-3-[ azo]-2-phenyl-1H-pyrazoliummethylsulphate
| Molecular Formula | C21H25N5O4S |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 2.83282 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.16272 |
| Heavy Atoms | 31 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 29508-48-3 |
|---|---|
| SMILES | CC1C=C(N([NH+]1C)C2=CC=CC=C2)N=NC3=C(NC4=CC=CC=C43)C.COS(=O)(=O)[O-] |
| InChIKey | WQWAAPRPYUZWRD-UHFFFAOYSA-N |
Product Overview
RefChem:417267 (CAS 29508-48-3), with molecular formula C21H25N5O4S and molecular weight 443.16 g/mol. IUPAC: (1,5-dimethyl-2-phenyl-1,5-dihydropyrazol-1-ium-3-yl)-(2-methyl-1H-indol-3-yl)diazene;methyl sulfate.
Chemical Property Profile of RefChem:417267
Property Insights of RefChem:417267
The XLogP value of 2.83282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:417267. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:417267. Following Lipinski's Rule of Five, RefChem:417267 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 RefChem:417267?
The CAS number of RefChem:417267 is 29508-48-3.
What is the molecular formula of RefChem:417267?
The molecular formula of RefChem:417267 is C21H25N5O4S.
What is the molecular weight of RefChem:417267?
The molecular weight of RefChem:417267 is 443.16 g/mol.
Where can I buy RefChem:417267?
You can request a quote for RefChem:417267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.