RefChem:117585
TL;DR: RefChem:117585 (CAS 67905-12-8) is a chemical compound with molecular formula C22H31ClN4O and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[[4-(diethylamino)-2-methylphenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium chloride
Also Known As: Ammonium, (p-((4-(diethylamino)-o-tolyl)azo)phenacyl)trimethyl-, chloride, (p-(4-(Diethylamino)-o-tolyl)azo)phenacyl)trimethylammonium, chloride, [4-[[4-(DIETHYLAMINO)-2-METHYLPHENYL]AZO]PHENACYL]TRIMETHYLAMMONIUM CHLORIDE, Benzeneethanaminium, 4-((4-(diethylamino)-2-methylphenyl)azo)-N,N,N-trimethyl-beta-oxo-, chloride, Benzeneethanaminium, 4-(2-(4-(diethylamino)-2-methylphenyl)diazenyl)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)
| Molecular Formula | C22H31ClN4O |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.21863 |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 67905-12-8 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C)C.[Cl-] |
| InChIKey | DKBLEALIIXWHPE-UHFFFAOYSA-M |
Product Overview
RefChem:117585 (CAS 67905-12-8), with molecular formula C22H31ClN4O and molecular weight 402.22 g/mol. IUPAC: [2-[4-[[4-(diethylamino)-2-methylphenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of RefChem:117585
Property Insights of RefChem:117585
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117585. With a topological polar surface area (TPSA) of 45.0 Ų, RefChem:117585 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117585 has 0 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:117585?
The CAS number of RefChem:117585 is 67905-12-8.
What is the molecular formula of RefChem:117585?
The molecular formula of RefChem:117585 is C22H31ClN4O.
What is the molecular weight of RefChem:117585?
The molecular weight of RefChem:117585 is 402.22 g/mol.
Where can I buy RefChem:117585?
You can request a quote for RefChem:117585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117585?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.