Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-
TL;DR: Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- (CAS 57152-99-5) is a chemical compound with molecular formula C15H22BrNO2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Also Known As: (+-)-trans-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide, NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (E)-(+-)-, ethyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, Ethyl(3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (Z)-(+)-
| Molecular Formula | C15H22BrNO2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | -2.13 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0834 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 57152-99-5 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[NH+](CCC1C2=CC=CC=C2)C.[Br-] |
| InChIKey | SOPKAMUVMLDCBE-BAGZVPGASA-N |
Product Overview
Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- (CAS 57152-99-5), with molecular formula C15H22BrNO2 and molecular weight 327.08 g/mol. IUPAC: ethyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide.
Chemical Property Profile of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-
Property Insights of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-
The XLogP value of -2.13 indicates that Nipecotic acid, 1-methyl-4-phenyl-, ethyl 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-, ethyl 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-, ethyl 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-, ethyl ester, hydrobromide, (E)-(+-)-?
The CAS number of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- is 57152-99-5.
What is the molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-?
The molecular formula of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- is C15H22BrNO2.
What is the molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-?
The molecular weight of Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- is 327.08 g/mol.
Where can I buy Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-?
You can request a quote for Nipecotic acid, 1-methyl-4-phenyl-, ethyl 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-, ethyl ester, hydrobromide, (E)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.