Isonicotinoyl chloride oxime hydrochloride
TL;DR: Isonicotinoyl chloride oxime hydrochloride (CAS 4185-98-2) is a chemical compound with molecular formula C6H6Cl2N2O and molecular weight 191.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hydroxypyridine-4-carboximidoyl chloride;hydrochloride
Also Known As: isonicotinoyl chloride oxime hydrochloride, pyridine-4-hydroximoylchloride hydrochloride, N-Hydroxyisonicotinimidoyl chloride monohydrochloride
| Molecular Formula | C6H6Cl2N2O |
|---|---|
| Molecular Weight | 191.99 g/mol |
| LogP | 1.878 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.98572 |
| Heavy Atoms | 11 |
| Complexity | 237.59741 |
Chemical Identifiers
| CAS Number | 4185-98-2 |
|---|---|
| SMILES | C1=CN=CC=C1C(=NO)Cl.Cl |
Product Overview
Isonicotinoyl chloride oxime hydrochloride (CAS 4185-98-2), with molecular formula C6H6Cl2N2O and molecular weight 191.99 g/mol. IUPAC: N-hydroxypyridine-4-carboximidoyl chloride;hydrochloride.
Chemical Property Profile of Isonicotinoyl chloride oxime hydrochloride
Property Insights of Isonicotinoyl chloride oxime hydrochloride
The XLogP value of 1.878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinoyl chloride oxime hydrochloride. With a topological polar surface area (TPSA) of 45.48 Ų, Isonicotinoyl chloride oxime hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinoyl chloride oxime 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 Isonicotinoyl chloride oxime hydrochloride?
The CAS number of Isonicotinoyl chloride oxime hydrochloride is 4185-98-2.
What is the molecular formula of Isonicotinoyl chloride oxime hydrochloride?
The molecular formula of Isonicotinoyl chloride oxime hydrochloride is C6H6Cl2N2O.
What is the molecular weight of Isonicotinoyl chloride oxime hydrochloride?
The molecular weight of Isonicotinoyl chloride oxime hydrochloride is 191.99 g/mol.
Where can I buy Isonicotinoyl chloride oxime hydrochloride?
You can request a quote for Isonicotinoyl chloride oxime hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinoyl chloride oxime hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinoyl chloride oxime hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.