Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride
TL;DR: Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride (CAS 54231-55-9) is a chemical compound with molecular formula C14H15ClN2O and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl)-(pyridine-4-carbonyl)azanium chloride
Also Known As: N-(2,3-Xylyl)isonicotinamide hydrochloride, Isonicotinamide, N-(2,3-xylyl)-, hydrochloride, N-(2,3-Dimethylphenyl)isonicotinamide hydrochloride, ISONICOTINAMIDE, N-(2,3-DIMETHYLPHENYL)-, HYDROCHLORIDE, (2,3-dimethylphenyl)-(pyridine-4-carbonyl)azanium chloride
| Molecular Formula | C14H15ClN2O |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | -1.26 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08728 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 54231-55-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[NH2+]C(=O)C2=CC=NC=C2)C.[Cl-] |
| InChIKey | NBSUZFZWVGDSEV-UHFFFAOYSA-N |
Product Overview
Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride (CAS 54231-55-9), with molecular formula C14H15ClN2O and molecular weight 262.09 g/mol. IUPAC: (2,3-dimethylphenyl)-(pyridine-4-carbonyl)azanium chloride.
Chemical Property Profile of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride
Property Insights of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride
The XLogP value of -1.26 indicates that Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride?
The CAS number of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride is 54231-55-9.
What is the molecular formula of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride?
The molecular formula of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride is C14H15ClN2O.
What is the molecular weight of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride?
The molecular weight of Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride is 262.09 g/mol.
Where can I buy Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride?
You can request a quote for Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinamide, N-(2,3-dimethylphenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.