RefChem:321447
TL;DR: RefChem:321447 (CAS 57645-40-6) is a chemical compound with molecular formula C22H29ClN4O3 and molecular weight 432.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-methoxy-4-(methylcarbamoylamino)-N-piperidin-1-ium-4-ylbenzamide chloride
Also Known As: Benzamide, 2-methoxy-4-(((methylamino)carbonyl)amino)-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride, N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-(N'-methylureido)benzamide hydrochloride, 2-Methoxy-4-(((methylamino)carbonyl)amino)-N-(1-(phenylmethyl)-4-piperidinyl)benzamide HCl, N-benzyl-2-methoxy-4-(methylcarbamoylamino)-N-piperidin-1-ium-4-ylbenzamide chloride, BENZAMIDE, 2-METHOXY-4-(((METHYLAMINO)CARBONYL)AMINO)-N-(1-(PHENYLMETHYL)-4-PIPE
| Molecular Formula | C22H29ClN4O3 |
|---|---|
| Molecular Weight | 432.19 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1928 |
| Heavy Atoms | 30 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 57645-40-6 |
|---|---|
| SMILES | CNC(=O)NC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3CC[NH2+]CC3)OC.[Cl-] |
| InChIKey | BVQPKDLNUIYLSR-UHFFFAOYSA-N |
Product Overview
RefChem:321447 (CAS 57645-40-6), with molecular formula C22H29ClN4O3 and molecular weight 432.19 g/mol. IUPAC: N-benzyl-2-methoxy-4-(methylcarbamoylamino)-N-piperidin-1-ium-4-ylbenzamide chloride.
Chemical Property Profile of RefChem:321447
Property Insights of RefChem:321447
The XLogP value of -1.18 indicates that RefChem:321447 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321447. Following Lipinski's Rule of Five, RefChem:321447 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:321447?
The CAS number of RefChem:321447 is 57645-40-6.
What is the molecular formula of RefChem:321447?
The molecular formula of RefChem:321447 is C22H29ClN4O3.
What is the molecular weight of RefChem:321447?
The molecular weight of RefChem:321447 is 432.19 g/mol.
Where can I buy RefChem:321447?
You can request a quote for RefChem:321447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.