Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-
TL;DR: Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- (CAS 57152-96-2) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Also Known As: NIPECOTIC ACID, 1-METHYL-4-PHENYL-, METHYL ESTER, HYDROBROMIDE, (E)-(+-)-, (+-)-trans-1-Methyl-4-phenylnipecotic acid methyl ester hydrobromide, methyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, trans-1-Methyl-4-phenyl-piperidin-3-carbonsaeure-methylester-hydrobromid [German], trans-1-Methyl-4-phenyl-piperidin-3-carbonsaeure-methylester-hydrobromid
| Molecular Formula | C14H20BrNO2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -2.52 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06775 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 57152-96-2 |
|---|---|
| SMILES | C[NH+]1CCC([C@@H](C1)C(=O)OC)C2=CC=CC=C2.[Br-] |
| InChIKey | VAMFJUPPMIRVHZ-MGWDBEAMSA-N |
Product Overview
Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- (CAS 57152-96-2), with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol. IUPAC: methyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide.
Chemical Property Profile of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-
Property Insights of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-
The XLogP value of -2.52 indicates that Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- 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-, methyl ester, hydrobromide, (E)-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- 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-, methyl ester, hydrobromide, (E)-(+-)-?
The CAS number of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- is 57152-96-2.
What is the molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-?
The molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- is C14H20BrNO2.
What is the molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-?
The molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- is 313.07 g/mol.
Where can I buy Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-?
You can request a quote for Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- 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-, methyl ester, hydrobromide, (E)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.