Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
TL;DR: Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- (CAS 57153-01-2) is a chemical compound with molecular formula C16H24BrNO2 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Also Known As: (+-)-1-Methyl-4-phenylnipecotic acid propyl ester hydrobromide, NIPECOTIC ACID, 1-METHYL-4-PHENYL-, PROPYL ESTER, HYDROBROMIDE, (Z)-(+-)-, propyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, Propyl(3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, RefChem:1092435
| Molecular Formula | C16H24BrNO2 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | -1.74 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.09903 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 57153-01-2 |
|---|---|
| SMILES | CCCOC(=O)[C@@H]1C[NH+](CC[C@@H]1C2=CC=CC=C2)C.[Br-] |
| InChIKey | XIPOFIKFJDIYEZ-CTHHTMFSSA-N |
Product Overview
Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- (CAS 57153-01-2), with molecular formula C16H24BrNO2 and molecular weight 341.10 g/mol. IUPAC: propyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide.
Chemical Property Profile of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
Property Insights of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
The XLogP value of -1.74 indicates that Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- has 1 hydrogen bond donor(s) and 3 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 Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-?
The CAS number of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- is 57153-01-2.
What is the molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-?
The molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- is C16H24BrNO2.
What is the molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-?
The molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- is 341.10 g/mol.
Where can I buy Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-?
You can request a quote for Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.