RefChem:1063360
TL;DR: RefChem:1063360 (CAS 100311-26-0) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.18668 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-(butylamino)benzoate chloride
Also Known As: Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride, 2-Hydroxy-3-(1-pyrrolidinyl)propyl p-(butylamino)benzoate hydrochloride, (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride, 1-(3-{[4-(butylamino)benzoyl]oxy}-2-hydroxypropyl)pyrrolidinium chloride, 2-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C18H29ClN2O3 |
| Molecular Weight | 356.18668 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.18668 Da |
| Heavy Atoms | 24 |
| Complexity | 337.0 |
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-] |
| InChIKey | GDZLJTJTFRBSCY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1063360
Property Insights of RefChem:1063360
The XLogP value of -1.9 indicates that RefChem:1063360 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:1063360. Following Lipinski's Rule of Five, RefChem:1063360 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:1063360?
The CAS number of RefChem:1063360 is 100311-26-0.
What is the molecular formula of RefChem:1063360?
The molecular formula of RefChem:1063360 is C18H29ClN2O3.
What is the molecular weight of RefChem:1063360?
The molecular weight of RefChem:1063360 is 356.18668 g/mol.
Where can I buy RefChem:1063360?
You can request a quote for RefChem:1063360 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1063360?
Yes, CoreyChem provides custom synthesis services for RefChem:1063360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.