RefChem:1075438
TL;DR: RefChem:1075438 (CAS 77791-63-0) is a chemical compound with molecular formula C15H25Cl4N3O and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Also Known As: C 5365, 2',6'-Dichloro-2-(2-(diethylamino)ethyl)methylaminoacetanilide dihydrochloride, Acetanilide, 2',6'-dichloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride, [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride, [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium,dichloride
| Molecular Formula | C15H25Cl4N3O |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | -5.62 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.07224 |
| Heavy Atoms | 23 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 77791-63-0 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C=CC=C1Cl)Cl.[Cl-].[Cl-] |
| InChIKey | NHCNRFIVZCJACP-UHFFFAOYSA-N |
Product Overview
RefChem:1075438 (CAS 77791-63-0), with molecular formula C15H25Cl4N3O and molecular weight 403.08 g/mol. IUPAC: [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride.
Chemical Property Profile of RefChem:1075438
Property Insights of RefChem:1075438
The XLogP value of -5.62 indicates that RefChem:1075438 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:1075438 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075438 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:1075438?
The CAS number of RefChem:1075438 is 77791-63-0.
What is the molecular formula of RefChem:1075438?
The molecular formula of RefChem:1075438 is C15H25Cl4N3O.
What is the molecular weight of RefChem:1075438?
The molecular weight of RefChem:1075438 is 403.08 g/mol.
Where can I buy RefChem:1075438?
You can request a quote for RefChem:1075438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.