RefChem:318606
TL;DR: RefChem:318606 (CAS 4677-60-5) is a chemical compound with molecular formula C21H27BrClN3O2 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide
Also Known As: Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide, (((6-Chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)ammonium bromide, [[(6-Chloro-o-tolyl)carbamoyl]methyl]dimethyl[(2,6-xylylcarbamoyl)methyl]ammonium bromide, [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide, 2-(2-Chloro-6-methylanilino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N-dimethyl-2-oxoethan-1-aminium bromide
| Molecular Formula | C21H27BrClN3O2 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.09753 |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 4677-60-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.[Br-] |
| InChIKey | RXBYCKQMMVFWAC-UHFFFAOYSA-N |
Product Overview
RefChem:318606 (CAS 4677-60-5), with molecular formula C21H27BrClN3O2 and molecular weight 467.10 g/mol. IUPAC: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide.
Chemical Property Profile of RefChem:318606
Property Insights of RefChem:318606
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318606. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:318606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318606 has 2 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:318606?
The CAS number of RefChem:318606 is 4677-60-5.
What is the molecular formula of RefChem:318606?
The molecular formula of RefChem:318606 is C21H27BrClN3O2.
What is the molecular weight of RefChem:318606?
The molecular weight of RefChem:318606 is 467.10 g/mol.
Where can I buy RefChem:318606?
You can request a quote for RefChem:318606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.