RefChem:1063361
TL;DR: RefChem:1063361 (CAS 100482-31-3) is a chemical compound with molecular formula C16H25ClN2O3 and molecular weight 328.15536 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-(ethylamino)benzoate chloride
Also Known As: Benzoic acid, p-(ethylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride, 2-Hydroxy-3-(1-pyrrolidinyl)propyl p-(ethylamino)benzoate hydrochloride, (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(ethylamino)benzoate chloride, 1-(3-{[4-(ethylamino)benzoyl]oxy}-2-hydroxypropyl)pyrrolidinium chloride, 2-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(ethylamino)benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H25ClN2O3 |
| Molecular Weight | 328.15536 g/mol |
| XLogP | -2.68 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.15536 Da |
| Heavy Atoms | 22 |
| Complexity | 311.0 |
| SMILES | CCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-] |
| InChIKey | ITXAUHYKAVJIJO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1063361
Property Insights of RefChem:1063361
The XLogP value of -2.68 indicates that RefChem:1063361 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:1063361. Following Lipinski's Rule of Five, RefChem:1063361 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:1063361?
The CAS number of RefChem:1063361 is 100482-31-3.
What is the molecular formula of RefChem:1063361?
The molecular formula of RefChem:1063361 is C16H25ClN2O3.
What is the molecular weight of RefChem:1063361?
The molecular weight of RefChem:1063361 is 328.15536 g/mol.
Where can I buy RefChem:1063361?
You can request a quote for RefChem:1063361 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1063361?
Yes, CoreyChem provides custom synthesis services for RefChem:1063361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.