RefChem:321895
TL;DR: RefChem:321895 (CAS 57645-31-5) is a chemical compound with molecular formula C22H26Cl3N3O3 and molecular weight 485.10 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-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride
Also Known As: Benzamide, 5-chloro-4-((chloroacetyl)amino)-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride, hydrate, 5-Chloro-4-[(2-chloroacetyl)amino]-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide chloride, BENZAMIDE, 5-CHLORO-4-((CHLOROACETYL)AMINO)-2-METHOXY-N-(1-(PHENYLMETHYL)-4-PIPE, N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride, RefChem:321895
| Molecular Formula | C22H26Cl3N3O3 |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | -0.49 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.10397 |
| Heavy Atoms | 31 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 57645-31-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)CCl.[Cl-] |
| InChIKey | YMSJZHXYEOSPFR-UHFFFAOYSA-N |
Product Overview
RefChem:321895 (CAS 57645-31-5), with molecular formula C22H26Cl3N3O3 and molecular weight 485.10 g/mol. IUPAC: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride.
Chemical Property Profile of RefChem:321895
Property Insights of RefChem:321895
The XLogP value of -0.49 indicates that RefChem:321895 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:321895. Following Lipinski's Rule of Five, RefChem:321895 has 3 hydrogen bond donor(s) and 4 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:321895?
The CAS number of RefChem:321895 is 57645-31-5.
What is the molecular formula of RefChem:321895?
The molecular formula of RefChem:321895 is C22H26Cl3N3O3.
What is the molecular weight of RefChem:321895?
The molecular weight of RefChem:321895 is 485.10 g/mol.
Where can I buy RefChem:321895?
You can request a quote for RefChem:321895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.