6-Chloro-N,N-diethylnicotinamide
TL;DR: 6-Chloro-N,N-diethylnicotinamide (CAS 54864-96-9) is a chemical compound with molecular formula C10H13ClN2O and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N,N-diethylpyridine-3-carboxamide
Also Known As: 6-Chloro-N,N-diethylnicotinamide, 6-chloro-N,N-diethylpyridine-3-carboxamide, 6-chloro-N,N-diethyl-nicotinamide, 6-chloro- N,N-diethyl-nicotinamide, 6-Chloro-N,N-diethylnicotinamide #
| Molecular Formula | C10H13ClN2O |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.07164 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 54864-96-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CN=C(C=C1)Cl |
| InChIKey | DEWSDUANQYRLFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-N,N-diethylnicotinamide (CAS 54864-96-9), with molecular formula C10H13ClN2O and molecular weight 212.07 g/mol. IUPAC: 6-chloro-N,N-diethylpyridine-3-carboxamide.
Chemical Property Profile of 6-Chloro-N,N-diethylnicotinamide
Property Insights of 6-Chloro-N,N-diethylnicotinamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-N,N-diethylnicotinamide. With a topological polar surface area (TPSA) of 33.2 Ų, 6-Chloro-N,N-diethylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-N,N-diethylnicotinamide has 0 hydrogen bond donor(s) and 2 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 6-Chloro-N,N-diethylnicotinamide?
The CAS number of 6-Chloro-N,N-diethylnicotinamide is 54864-96-9.
What is the molecular formula of 6-Chloro-N,N-diethylnicotinamide?
The molecular formula of 6-Chloro-N,N-diethylnicotinamide is C10H13ClN2O.
What is the molecular weight of 6-Chloro-N,N-diethylnicotinamide?
The molecular weight of 6-Chloro-N,N-diethylnicotinamide is 212.07 g/mol.
Where can I buy 6-Chloro-N,N-diethylnicotinamide?
You can request a quote for 6-Chloro-N,N-diethylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-N,N-diethylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-N,N-diethylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.