RefChem:319295
TL;DR: RefChem:319295 (CAS 4169-33-9) is a chemical compound with molecular formula C21H28ClN3O2 and molecular weight 389.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-[2-(2-methylanilino)-2-oxoethyl]azanium chloride
Also Known As: Ammonium, dimethyl((o-tolylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)-, chloride, Dimethyl((o-tolylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)ammonium chloride, [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-[2-(2-methylanilino)-2-oxoethyl]azanium chloride, RefChem:319295
| Molecular Formula | C21H28ClN3O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.187 |
| Heavy Atoms | 27 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 4169-33-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2C.[Cl-] |
| InChIKey | YSKADTNXEBAWKW-UHFFFAOYSA-N |
Product Overview
RefChem:319295 (CAS 4169-33-9), with molecular formula C21H28ClN3O2 and molecular weight 389.19 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-[2-(2-methylanilino)-2-oxoethyl]azanium chloride.
Chemical Property Profile of RefChem:319295
Property Insights of RefChem:319295
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319295. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:319295 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319295 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:319295?
The CAS number of RefChem:319295 is 4169-33-9.
What is the molecular formula of RefChem:319295?
The molecular formula of RefChem:319295 is C21H28ClN3O2.
What is the molecular weight of RefChem:319295?
The molecular weight of RefChem:319295 is 389.19 g/mol.
Where can I buy RefChem:319295?
You can request a quote for RefChem:319295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319295?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.