2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride
TL;DR: 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride (CAS 474262-18-5) is a chemical compound with molecular formula C20H25ClN2O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate;hydrochloride
Also Known As: 2-(nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride, 2-[(pyridin-3-yl)formamido]ethyl 2-(4-tert-butylphenoxy)acetate hydrochloride, F1032-0099, 2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate;hydrochloride, 2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate hydrochloride
| Molecular Formula | C20H25ClN2O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 3.1529 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.1503 |
| Heavy Atoms | 27 |
| Complexity | 727.897 |
Chemical Identifiers
| CAS Number | 474262-18-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCCNC(=O)C2=CN=CC=C2.Cl |
Product Overview
2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride (CAS 474262-18-5), with molecular formula C20H25ClN2O4 and molecular weight 392.15 g/mol. IUPAC: 2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate;hydrochloride.
Chemical Property Profile of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride
Property Insights of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride
The XLogP value of 3.1529 indicates that 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride. Following Lipinski's Rule of Five, 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride has 1 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 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride?
The CAS number of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride is 474262-18-5.
What is the molecular formula of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride?
The molecular formula of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride is C20H25ClN2O4.
What is the molecular weight of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride?
The molecular weight of 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride is 392.15 g/mol.
Where can I buy 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride?
You can request a quote for 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nicotinamido)ethyl 2-(4-(tert-butyl)phenoxy)acetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.