Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride
TL;DR: Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride (CAS 54231-60-6) is a chemical compound with molecular formula C13H11ClF2N2O and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
Also Known As: Nicotinamide, N-(p-difluoromethylphenyl)-, hydrochloride, N-(alpha,alpha-Difluoro-p-tolyl)nicotinamide hydrochloride, Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride, n-[4-(difluoromethyl)phenyl]nicotinamide hydrochloride(1:1), N-[4-(difluoromethyl)phenyl]pyridine-3-carboxamide hydrochloride
| Molecular Formula | C13H11ClF2N2O |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0528 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 54231-60-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(F)F.Cl |
| InChIKey | ZLQVOBZJNPIICS-UHFFFAOYSA-N |
Product Overview
Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride (CAS 54231-60-6), with molecular formula C13H11ClF2N2O and molecular weight 284.05 g/mol. IUPAC: N-[4-(difluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride.
Chemical Property Profile of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride
Property Insights of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride
The XLogP value of 3.69 indicates that Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride has 2 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 Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride?
The CAS number of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride is 54231-60-6.
What is the molecular formula of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride?
The molecular formula of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride is C13H11ClF2N2O.
What is the molecular weight of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride?
The molecular weight of Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride is 284.05 g/mol.
Where can I buy Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride?
You can request a quote for Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.