2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate
TL;DR: 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate (CAS 325763-99-3) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-4-carbonylamino)ethyl 3,4-dimethoxybenzoate
Also Known As: 2-isonicotinoylaminoethyl veratrate, 2-(isonicotinamido)ethyl 3,4-dimethoxybenzoate, 2-(pyridine-4-carbonylamino)ethyl 3,4-dimethoxybenzoate, 2-[(pyridin-4-yl)formamido]ethyl 3,4-dimethoxybenzoate, AB00544315-02
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 1.6856 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 703.382 |
Chemical Identifiers
| CAS Number | 325763-99-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC=NC=C2)OC |
Product Overview
2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate (CAS 325763-99-3), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: 2-(pyridine-4-carbonylamino)ethyl 3,4-dimethoxybenzoate.
Chemical Property Profile of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate
Property Insights of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate
The XLogP value of 1.6856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate has 1 hydrogen bond donor(s) and 6 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-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate?
The CAS number of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate is 325763-99-3.
What is the molecular formula of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate?
The molecular formula of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate is C17H18N2O5.
What is the molecular weight of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate?
The molecular weight of 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate is 330.12 g/mol.
Where can I buy 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate?
You can request a quote for 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isonicotinamido)ethyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.