N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide
TL;DR: N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide (CAS 680217-83-8) is a chemical compound with molecular formula C16H15Cl2FN2O and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoropyridine-3-carboxamide
Also Known As: N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide, N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoropyridine-3-carboxamide, N-[4-(tert-butyl)phenyl]-2,6-dichloro-5-fluoronicotinamide, AP-501/42583405, 2,6-Dichloro-N-[4-(1,1-dimethylethyl)phenyl]-5-fluoro-3-pyridinecarboxamide
| Molecular Formula | C16H15Cl2FN2O |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.05453 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 680217-83-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2Cl)Cl)F |
| InChIKey | IHJDCVOXUAIONS-UHFFFAOYSA-N |
Product Overview
N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide (CAS 680217-83-8), with molecular formula C16H15Cl2FN2O and molecular weight 340.05 g/mol. IUPAC: N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoropyridine-3-carboxamide.
Chemical Property Profile of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide
Property Insights of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide
The XLogP value of 5.4 indicates that N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide?
The CAS number of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide is 680217-83-8.
What is the molecular formula of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide?
The molecular formula of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide is C16H15Cl2FN2O.
What is the molecular weight of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide?
The molecular weight of N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide is 340.05 g/mol.
Where can I buy N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide?
You can request a quote for N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-tert-butylphenyl)-2,6-dichloro-5-fluoronicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.