(-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
TL;DR: (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide (CAS 57193-93-8) 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 1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Also Known As: (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide, ethyl 1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide, NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (Z)-(-)-, (+-)-trans-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide, 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 | 57193-93-8 |
|---|---|
| SMILES | CCOC(=O)C1C[NH+](CCC1C2=CC=CC=C2)C.[Br-] |
| InChIKey | SOPKAMUVMLDCBE-UHFFFAOYSA-N |
Product Overview
(-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide (CAS 57193-93-8), with molecular formula C15H22BrNO2 and molecular weight 327.08 g/mol. IUPAC: ethyl 1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide.
Chemical Property Profile of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
Property Insights of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
The XLogP value of -2.13 indicates that (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide 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, (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide 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 (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide?
The CAS number of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide is 57193-93-8.
What is the molecular formula of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide?
The molecular formula of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide is C15H22BrNO2.
What is the molecular weight of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide?
The molecular weight of (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide is 327.08 g/mol.
Where can I buy (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide?
You can request a quote for (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.