Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride
TL;DR: Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 98173-60-5) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 1-(2-Cyanoethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, ISONIPECOTIC ACID, 1-(2-CYANOETHYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride, VUFB2761, 1-(2-Cyanoethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, ISONIPECOTIC ACID, 1-(2-CYANOETHYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, 98173-60-5, AC1L1MT0, LS-85081, 1-(2-cyanoethyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride, ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -1.92 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 98173-60-5 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC#N)C2=CC=CC=C2.[Cl-] |
| InChIKey | UOHASDIDBGTBKT-UHFFFAOYSA-N |
Product Overview
Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 98173-60-5), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride
Property Insights of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride
The XLogP value of -1.92 indicates that Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.5 Ų, Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride has 1 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-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride?
The CAS number of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride is 98173-60-5.
What is the molecular formula of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular formula of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride is C17H23ClN2O2.
What is the molecular weight of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular weight of Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride is 322.14 g/mol.
Where can I buy Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride?
You can request a quote for Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, 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-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-(2-cyanoethyl)-4-phenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.