RefChem:1063362
TL;DR: RefChem:1063362 (CAS 100482-41-5) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride
Also Known As: Benzoic acid, p-(propylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride, 2-Hydroxy-3-(1-pyrrolidinyl)propyl p-(propylamino)benzoate hydrochloride, (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride, 1-(2-hydroxy-3-{[4-(propylamino)benzoyl]oxy}propyl)pyrrolidinium chloride, 2-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C17H27ClN2O3 |
| Molecular Weight | 342.17102 g/mol |
| XLogP | -2.29 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.17102 Da |
| Heavy Atoms | 23 |
| Complexity | 324.0 |
| SMILES | CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-] |
| InChIKey | QFSRJMORYALYFC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1063362
Property Insights of RefChem:1063362
The XLogP value of -2.29 indicates that RefChem:1063362 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:1063362. Following Lipinski's Rule of Five, RefChem:1063362 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
What is the CAS number of RefChem:1063362?
The CAS number of RefChem:1063362 is 100482-41-5.
What is the molecular formula of RefChem:1063362?
The molecular formula of RefChem:1063362 is C17H27ClN2O3.
What is the molecular weight of RefChem:1063362?
The molecular weight of RefChem:1063362 is 342.17102 g/mol.
Where can I buy RefChem:1063362?
You can request a quote for RefChem:1063362 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1063362?
Yes, CoreyChem provides custom synthesis services for RefChem:1063362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.