RefChem:366339
TL;DR: RefChem:366339 (CAS 102489-53-2) is a chemical compound with molecular formula C23H41Cl2N3O and molecular weight 445.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride
Also Known As: C 5347, 6'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochloride, o-Acetotoluidide, 6'-chloro-2-((2-(diethylamino)ethyl)octylamino)-, hydrochloride, 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride, 2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(octyl)amino]-n,n-diethylethanaminium chloride
| Molecular Formula | C23H41Cl2N3O |
|---|---|
| Molecular Weight | 445.26 g/mol |
| LogP | 1.18 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 445.26266 |
| Heavy Atoms | 29 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 102489-53-2 |
|---|---|
| SMILES | CCCCCCCCN(CC[NH+](CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | HHYZSQFKJRAXII-UHFFFAOYSA-N |
Product Overview
RefChem:366339 (CAS 102489-53-2), with molecular formula C23H41Cl2N3O and molecular weight 445.26 g/mol. IUPAC: 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:366339
Property Insights of RefChem:366339
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:366339. With a topological polar surface area (TPSA) of 36.8 Ų, RefChem:366339 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:366339 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:366339?
The CAS number of RefChem:366339 is 102489-53-2.
What is the molecular formula of RefChem:366339?
The molecular formula of RefChem:366339 is C23H41Cl2N3O.
What is the molecular weight of RefChem:366339?
The molecular weight of RefChem:366339 is 445.26 g/mol.
Where can I buy RefChem:366339?
You can request a quote for RefChem:366339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:366339?
Yes, KEHONG BIO provides custom synthesis services for RefChem:366339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.