RefChem:321568
TL;DR: RefChem:321568 (CAS 97598-05-5) is a chemical compound with molecular formula C15H22Cl3N3O2 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,2-dichloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium chloride
Also Known As: 4-((Dichloroacetyl)amino)-N-(2-(diethylamino)ethyl)benzamide hydrochloride, Benzamide, 4-((dichloroacetyl)amino)-N-(2-(diethylamino)ethyl)-, monohydrochloride, 2-[[4-[(2,2-Dichloroacetyl)amino]benzoyl]amino]ethyl-diethylazaniumchloride, 2-[[4-[(2,2-dichloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium chloride, BENZAMIDE, 4-((DICHLOROACETYL)AMINO)-N-(2-(DIETHYLAMINO)ETHYL)-, MONOHYDROCHLORI
| Molecular Formula | C15H22Cl3N3O2 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | -1.91 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.07776 |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 97598-05-5 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(Cl)Cl.[Cl-] |
| InChIKey | ORXMDLXWHZDBBF-UHFFFAOYSA-N |
Product Overview
RefChem:321568 (CAS 97598-05-5), with molecular formula C15H22Cl3N3O2 and molecular weight 381.08 g/mol. IUPAC: 2-[[4-[(2,2-dichloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:321568
Property Insights of RefChem:321568
The XLogP value of -1.91 indicates that RefChem:321568 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321568. Following Lipinski's Rule of Five, RefChem:321568 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:321568?
The CAS number of RefChem:321568 is 97598-05-5.
What is the molecular formula of RefChem:321568?
The molecular formula of RefChem:321568 is C15H22Cl3N3O2.
What is the molecular weight of RefChem:321568?
The molecular weight of RefChem:321568 is 381.08 g/mol.
Where can I buy RefChem:321568?
You can request a quote for RefChem:321568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321568?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.