RefChem:321891
TL;DR: RefChem:321891 (CAS 57645-29-1) is a chemical compound with molecular formula C22H24Cl2F3N3O3 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride
Also Known As: 5-Chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)benzamide HCl, Benzamide, 5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)-,monohydrochloride, 5-Chloro-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride, BENZAMIDE, 5-CHLORO-2-METHOXY-N-(1-(PHENYLMETHYL)-4-PIPERIDINYL)-4-((TRIFLUOROAC, N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride
| Molecular Formula | C22H24Cl2F3N3O3 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.1147 |
| Heavy Atoms | 33 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 57645-29-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)C(F)(F)F.[Cl-] |
| InChIKey | HDVRXTYWAURKCS-UHFFFAOYSA-N |
Product Overview
RefChem:321891 (CAS 57645-29-1), with molecular formula C22H24Cl2F3N3O3 and molecular weight 505.11 g/mol. IUPAC: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride.
Chemical Property Profile of RefChem:321891
Property Insights of RefChem:321891
The XLogP value of -0.17 indicates that RefChem:321891 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321891. Following Lipinski's Rule of Five, RefChem:321891 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:321891?
The CAS number of RefChem:321891 is 57645-29-1.
What is the molecular formula of RefChem:321891?
The molecular formula of RefChem:321891 is C22H24Cl2F3N3O3.
What is the molecular weight of RefChem:321891?
The molecular weight of RefChem:321891 is 505.11 g/mol.
Where can I buy RefChem:321891?
You can request a quote for RefChem:321891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.