Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
TL;DR: Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride (CAS 95022-51-8) is a chemical compound with molecular formula C17H27Cl2N3O2 and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-azaniumyl-3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)propylidene]azanium dichloride
Also Known As: 1-(2-(Amino(hydroxyimino)methyl)ethyl)-4-phenylisonipecotic acid ethyl ester dihydrochloride, ISONIPECOTIC ACID, 1-(2-AMIDINOETHYL)-4-PHENYL-, ETHYL ESTER, DIHYDROCHLORIDE, [1-Azaniumylidene-3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)propyl]azanium dichloride, [1-azaniumyl-3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)propylidene]azanium dichloride
| Molecular Formula | C17H27Cl2N3O2 |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | -6.62 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.14804 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 95022-51-8 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCC(=[NH2+])[NH3+])C2=CC=CC=C2.[Cl-].[Cl-] |
| InChIKey | KOQAVMCLIIUUAX-UHFFFAOYSA-N |
Product Overview
Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride (CAS 95022-51-8), with molecular formula C17H27Cl2N3O2 and molecular weight 375.15 g/mol. IUPAC: [1-azaniumyl-3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)propylidene]azanium dichloride.
Chemical Property Profile of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
Property Insights of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
The XLogP value of -6.62 indicates that Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride has 2 hydrogen bond donor(s) and 5 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-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The CAS number of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is 95022-51-8.
What is the molecular formula of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The molecular formula of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is C17H27Cl2N3O2.
What is the molecular weight of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The molecular weight of Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is 375.15 g/mol.
Where can I buy Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
You can request a quote for Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride 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-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.