RefChem:336213
TL;DR: RefChem:336213 (CAS 101813-63-2) is a chemical compound with molecular formula C25H31ClN2O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-1-ium-4-yl]methyl]cyclopropanecarboxamide chloride
Also Known As: Cyclopropanecarboxamide, N-((1-(1,4-benzodioxan-2-ylmethyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride, 2-(4-(Cyclopropylcarboxamidomethyl)-4-phenyl-1-piperidinyl)-methyl-1,4-benzodioxane HCl, N-[[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYL)-4-PHENYLPIPERIDIN-1-IUM-4-YL]METHYL]CYCLOPROPANECARBOXAMIDE CHLORIDE, CYCLOPROPANECARBOXAMIDE, N-((1-(1,4-BENZODIOXAN-2-YLMETHYL)-4-PHENYL-4-PIPERIDYL, 4-{[(cyclopropylcarbonyl)amino]methyl}-1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-phenylpiperidinium chloride
| Molecular Formula | C25H31ClN2O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | -1.03 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.20233 |
| Heavy Atoms | 31 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 101813-63-2 |
|---|---|
| SMILES | C1CC1C(=O)NCC2(CC[NH+](CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.[Cl-] |
| InChIKey | CFAWNGFFXVQIDS-UHFFFAOYSA-N |
Product Overview
RefChem:336213 (CAS 101813-63-2), with molecular formula C25H31ClN2O3 and molecular weight 442.20 g/mol. IUPAC: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-1-ium-4-yl]methyl]cyclopropanecarboxamide chloride.
Chemical Property Profile of RefChem:336213
Property Insights of RefChem:336213
The XLogP value of -1.03 indicates that RefChem:336213 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:336213 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336213 has 2 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:336213?
The CAS number of RefChem:336213 is 101813-63-2.
What is the molecular formula of RefChem:336213?
The molecular formula of RefChem:336213 is C25H31ClN2O3.
What is the molecular weight of RefChem:336213?
The molecular weight of RefChem:336213 is 442.20 g/mol.
Where can I buy RefChem:336213?
You can request a quote for RefChem:336213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336213?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.