2-chloro-N-isopropylnicotinamide
TL;DR: 2-chloro-N-isopropylnicotinamide (CAS 56904-63-3) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-propan-2-ylpyridine-3-carboxamide
Also Known As: 2-chloro-N-isopropylnicotinamide, N-isopropyl-2-chloronicotinamide, 2-chloro-N-propan-2-ylpyridine-3-carboxamide, 2-Chloro-N-isopropyl-nicotinamide, 2-chloro-N-isopropylpyridine-3-carboxamide
| Molecular Formula | C9H11ClN2O |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 1.8732 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05598 |
| Heavy Atoms | 13 |
| Complexity | 312.23795 |
Chemical Identifiers
| CAS Number | 56904-63-3 |
|---|---|
| SMILES | CC(C)NC(=O)C1=C(N=CC=C1)Cl |
Product Overview
2-chloro-N-isopropylnicotinamide (CAS 56904-63-3), with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol. IUPAC: 2-chloro-N-propan-2-ylpyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-isopropylnicotinamide
Property Insights of 2-chloro-N-isopropylnicotinamide
The XLogP value of 1.8732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-isopropylnicotinamide. With a topological polar surface area (TPSA) of 41.99 Ų, 2-chloro-N-isopropylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-isopropylnicotinamide has 1 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 2-chloro-N-isopropylnicotinamide?
The CAS number of 2-chloro-N-isopropylnicotinamide is 56904-63-3.
What is the molecular formula of 2-chloro-N-isopropylnicotinamide?
The molecular formula of 2-chloro-N-isopropylnicotinamide is C9H11ClN2O.
What is the molecular weight of 2-chloro-N-isopropylnicotinamide?
The molecular weight of 2-chloro-N-isopropylnicotinamide is 198.06 g/mol.
Where can I buy 2-chloro-N-isopropylnicotinamide?
You can request a quote for 2-chloro-N-isopropylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-isopropylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-isopropylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.