Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride
TL;DR: Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride (CAS 4956-15-4) is a chemical compound with molecular formula C15H21ClNO3- and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Dolantin N-oxide hydrochloride, 1-Methyl-4-phenylisonipecotic acid ethyl ester 1-oxide hydrochloride, ISONIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, 1-OXIDE, HYDROCHLORIDE, ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride, RefChem:1087644
| Molecular Formula | C15H21ClNO3- |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.121 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 4956-15-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2.[Cl-] |
| InChIKey | HWLYBYWUQNGVTB-UHFFFAOYSA-M |
Product Overview
Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride (CAS 4956-15-4), with molecular formula C15H21ClNO3- and molecular weight 298.12 g/mol. IUPAC: ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride
Property Insights of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride
The XLogP value of -0.77 indicates that Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.4 Ų, Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride has 0 hydrogen bond donor(s) and 4 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 Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride?
The CAS number of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride is 4956-15-4.
What is the molecular formula of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride?
The molecular formula of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride is C15H21ClNO3-.
What is the molecular weight of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride?
The molecular weight of Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride is 298.12 g/mol.
Where can I buy Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride?
You can request a quote for Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.