Basic Red 18:1
TL;DR: Basic Red 18:1 (CAS 54229-13-9) is a chemical compound with molecular formula C21H29Cl2N5O3 and molecular weight 469.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium chloride
Also Known As: Basic Red 18:1, [2-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium chloride, [2-[[4-[ azo]phenyl]ethylamino]ethyl] dimethylammoniumchloride, [2-[[4-[azo]phenyl]ethylamino]ethyl] dimethylammoniumchloride, 1-Propanaminium, N-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, chloride
| Molecular Formula | C21H29Cl2N5O3 |
|---|---|
| Molecular Weight | 469.16 g/mol |
| LogP | 1.95 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.16473 |
| Heavy Atoms | 31 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 54229-13-9 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-] |
| InChIKey | ACBFJDARQXVXLX-UHFFFAOYSA-M |
Product Overview
Basic Red 18:1 (CAS 54229-13-9), with molecular formula C21H29Cl2N5O3 and molecular weight 469.16 g/mol. IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium chloride.
Chemical Property Profile of Basic Red 18:1
Property Insights of Basic Red 18:1
The XLogP value of 1.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Basic Red 18:1. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Basic Red 18:1. Following Lipinski's Rule of Five, Basic Red 18:1 has 1 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 Basic Red 18:1?
The CAS number of Basic Red 18:1 is 54229-13-9.
What is the molecular formula of Basic Red 18:1?
The molecular formula of Basic Red 18:1 is C21H29Cl2N5O3.
What is the molecular weight of Basic Red 18:1?
The molecular weight of Basic Red 18:1 is 469.16 g/mol.
Where can I buy Basic Red 18:1?
You can request a quote for Basic Red 18:1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Red 18:1?
Yes, KEHONG BIO provides custom synthesis services for Basic Red 18:1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.