RefChem:138049
TL;DR: RefChem:138049 (CAS 20048-48-0) is a chemical compound with molecular formula C26H31ClN4O and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-benzoylphenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium chloride
Also Known As: Ammonium, (2-(p-((p-benzoylphenyl)azo)-N-ethylanilino)ethyl)trimethyl-, chloride, Ethanaminium, 2-((4-(2-(4-benzoylphenyl)diazenyl)phenyl)ethylamino)-N,N,N-trimethyl-, chloride (1:1), Ethanaminium, 2-((4-((4-benzoylphenyl)azo)phenyl)ethylamino)-N,N,N-trimethyl-, chloride, Ethanaminium, 2-[[4-[(4-benzoylphenyl)azo]phenyl]ethylamino]-N,N,N-trimethyl-, chloride, Ethanaminium, 2-[[4-[2-(4-benzoylphenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-, chloride (1:1)
| Molecular Formula | C26H31ClN4O |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 2.87 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.21863 |
| Heavy Atoms | 32 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 20048-48-0 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | XCJLPFRURNGRAC-UHFFFAOYSA-M |
Product Overview
RefChem:138049 (CAS 20048-48-0), with molecular formula C26H31ClN4O and molecular weight 450.22 g/mol. IUPAC: 2-[4-[(4-benzoylphenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium chloride.
Chemical Property Profile of RefChem:138049
Property Insights of RefChem:138049
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:138049. With a topological polar surface area (TPSA) of 45.0 Ų, RefChem:138049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:138049 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:138049?
The CAS number of RefChem:138049 is 20048-48-0.
What is the molecular formula of RefChem:138049?
The molecular formula of RefChem:138049 is C26H31ClN4O.
What is the molecular weight of RefChem:138049?
The molecular weight of RefChem:138049 is 450.22 g/mol.
Where can I buy RefChem:138049?
You can request a quote for RefChem:138049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138049?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.