RefChem:1078033
TL;DR: RefChem:1078033 (CAS 63639-59-8) is a chemical compound with molecular formula C22H29ClN2O4 and molecular weight 420.18 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)-3,4,5-trimethoxybenzamide chloride
Also Known As: N-(1-(Phenylmethyl)-4-piperidinyl)-3,4,5-trimethoxybenzamide hydrochloride, Benzamide, N-(1-(phenylmethyl)-4-piperidinyl)-3,4,5-trimethoxy-, monohydrochloride, N-(1'-Benzyl-4'-piperidyl)-3,4,5-trimethoxybenzamide hydrochloride, N-(1-benzylpiperidin-1-ium-4-yl)-3,4,5-trimethoxybenzamide chloride, N-[1-benzyl(4-piperidyl)](3,4,5-trimethoxyphenyl)carboxamide, chloride
| Molecular Formula | C22H29ClN2O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | -1.31 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.18158 |
| Heavy Atoms | 29 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 63639-59-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | IDBQNCBUKWLHQX-UHFFFAOYSA-N |
Product Overview
RefChem:1078033 (CAS 63639-59-8), with molecular formula C22H29ClN2O4 and molecular weight 420.18 g/mol. IUPAC: N-(1-benzylpiperidin-1-ium-4-yl)-3,4,5-trimethoxybenzamide chloride.
Chemical Property Profile of RefChem:1078033
Property Insights of RefChem:1078033
The XLogP value of -1.31 indicates that RefChem:1078033 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078033. Following Lipinski's Rule of Five, RefChem:1078033 has 2 hydrogen bond donor(s) and 5 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:1078033?
The CAS number of RefChem:1078033 is 63639-59-8.
What is the molecular formula of RefChem:1078033?
The molecular formula of RefChem:1078033 is C22H29ClN2O4.
What is the molecular weight of RefChem:1078033?
The molecular weight of RefChem:1078033 is 420.18 g/mol.
Where can I buy RefChem:1078033?
You can request a quote for RefChem:1078033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.