Acetylisoniazid
TL;DR: Acetylisoniazid (CAS 1078-38-2) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-acetylpyridine-4-carbohydrazide
Also Known As: Acetylisoniazid, Acetyl isoniazid, N-Acetylisoniazid, (N)1-Acetylisoniazid, Acetylisoniazide
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 1078-38-2 |
|---|---|
| SMILES | CC(=O)NNC(=O)C1=CC=NC=C1 |
| InChIKey | CVBGNAKQQUWBQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylisoniazid (CAS 1078-38-2), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: N'-acetylpyridine-4-carbohydrazide.
Chemical Property Profile of Acetylisoniazid
Property Insights of Acetylisoniazid
The XLogP value of -0.4 indicates that Acetylisoniazid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylisoniazid. Following Lipinski's Rule of Five, Acetylisoniazid has 2 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 Acetylisoniazid?
The CAS number of Acetylisoniazid is 1078-38-2.
What is the molecular formula of Acetylisoniazid?
The molecular formula of Acetylisoniazid is C8H9N3O2.
What is the molecular weight of Acetylisoniazid?
The molecular weight of Acetylisoniazid is 179.07 g/mol.
Where can I buy Acetylisoniazid?
You can request a quote for Acetylisoniazid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylisoniazid?
Yes, KEHONG BIO provides custom synthesis services for Acetylisoniazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.