RefChem:1093589
TL;DR: RefChem:1093589 (CAS 77966-33-7) is a chemical compound with molecular formula C23H34Cl3N3O and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[3-(diethylazaniumyl)propyl]azanium dichloride
Also Known As: C 5349, 2-(Benzyl(3-(diethylamino)propyl)amino)-6'-chloro-o-acetotoluidide dihydrochloride, o-Acetotoluidide, 2-(benzyl(3-(diethylamino)propyl)amino)-6'-chloro-, dihydrochloride, [2-(2-Chloro-6-methylanilino)-2-oxoethyl]-[3-(diethylazaniumyl)propyl]-(phenylmethyl)azanium dichloride, Acetamide, N-(2-chloro-6-methylphenyl)-2-[[3-(diethylamino)propyl](phenylmethyl)amino]-, dihydrochloride
| Molecular Formula | C23H34Cl3N3O |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | -4.01 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.17676 |
| Heavy Atoms | 30 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 77966-33-7 |
|---|---|
| SMILES | CC[NH+](CC)CCC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[Cl-] |
| InChIKey | ITIDRXCMEDDSKX-UHFFFAOYSA-N |
Product Overview
RefChem:1093589 (CAS 77966-33-7), with molecular formula C23H34Cl3N3O and molecular weight 473.18 g/mol. IUPAC: benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[3-(diethylazaniumyl)propyl]azanium dichloride.
Chemical Property Profile of RefChem:1093589
Property Insights of RefChem:1093589
The XLogP value of -4.01 indicates that RefChem:1093589 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, RefChem:1093589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1093589 has 3 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:1093589?
The CAS number of RefChem:1093589 is 77966-33-7.
What is the molecular formula of RefChem:1093589?
The molecular formula of RefChem:1093589 is C23H34Cl3N3O.
What is the molecular weight of RefChem:1093589?
The molecular weight of RefChem:1093589 is 473.18 g/mol.
Where can I buy RefChem:1093589?
You can request a quote for RefChem:1093589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093589?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.