RefChem:321646
TL;DR: RefChem:321646 (CAS 63639-48-5) is a chemical compound with molecular formula C24H27Cl2N3O2 and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-2-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]benzamide chloride
Also Known As: 4-Amino-5-chloro-2-methoxy-N-(1-(2-naphthalenylmethyl)-4-piperidinyl)benzamide hydrochloride, Benzamide, 4-amino-5-chloro-2-methoxy-N-(1-(2-naphthalenylmethyl)-4-piperidinyl)-, monohydrochloride, 4-amino-5-chloro-2-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]benzamide chloride, BENZAMIDE, 4-AMINO-5-CHLORO-2-METHOXY-N-(1-(2-NAPHTHALENYLMETHYL)-4-PIPERIDINYL), RefChem:321646
| Molecular Formula | C24H27Cl2N3O2 |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 0.07 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.14804 |
| Heavy Atoms | 31 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 63639-48-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3)Cl)N.[Cl-] |
| InChIKey | ZLJOBDHDRQFZQJ-UHFFFAOYSA-N |
Product Overview
RefChem:321646 (CAS 63639-48-5), with molecular formula C24H27Cl2N3O2 and molecular weight 459.15 g/mol. IUPAC: 4-amino-5-chloro-2-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]benzamide chloride.
Chemical Property Profile of RefChem:321646
Property Insights of RefChem:321646
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321646. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321646. Following Lipinski's Rule of Five, RefChem:321646 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:321646?
The CAS number of RefChem:321646 is 63639-48-5.
What is the molecular formula of RefChem:321646?
The molecular formula of RefChem:321646 is C24H27Cl2N3O2.
What is the molecular weight of RefChem:321646?
The molecular weight of RefChem:321646 is 459.15 g/mol.
Where can I buy RefChem:321646?
You can request a quote for RefChem:321646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321646?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.