RefChem:1063358
TL;DR: RefChem:1063358 (CAS 100482-39-1) is a chemical compound with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate;methane;chloride
Also Known As: Benzoic acid, p-(propylamino)-, 2-hydroxy-3-piperidinopropyl ester, hydrochloride, 2-Hydroxy-3-piperidinopropyl p-(propylamino)benzoate hydrochloride, (2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate; methane; chloride, 1-(2-hydroxy-3-{[4-(propylamino)benzoyl]oxy}propyl)piperidinium chloride methane(1:1:1), 2-Hydroxy-3-(piperidin-1-yl)propyl 4-(propylamino)benzoate--methane--hydrogen chloride (1/1/1)
| Molecular Formula | C19H33ClN2O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | -1.26 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.21796 |
| Heavy Atoms | 25 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 100482-39-1 |
|---|---|
| SMILES | C.CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCCC2)O.[Cl-] |
| InChIKey | SBINTGJTDIGHIS-UHFFFAOYSA-N |
Product Overview
RefChem:1063358 (CAS 100482-39-1), with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol. IUPAC: (2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate;methane;chloride.
Chemical Property Profile of RefChem:1063358
Property Insights of RefChem:1063358
The XLogP value of -1.26 indicates that RefChem:1063358 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063358. Following Lipinski's Rule of Five, RefChem:1063358 has 3 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:1063358?
The CAS number of RefChem:1063358 is 100482-39-1.
What is the molecular formula of RefChem:1063358?
The molecular formula of RefChem:1063358 is C19H33ClN2O3.
What is the molecular weight of RefChem:1063358?
The molecular weight of RefChem:1063358 is 372.22 g/mol.
Where can I buy RefChem:1063358?
You can request a quote for RefChem:1063358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063358?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.