Isoniazid analog
TL;DR: Isoniazid analog (CAS 6959-94-0) is a chemical compound with molecular formula C16H16N6O6 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(pyridine-4-carbonylamino)carbamoyloxy]ethyl N-(pyridine-4-carbonylamino)carbamate
Also Known As: Isoniazid analog, 2-[(pyridine-4-carbonylamino)carbamoyloxy]ethyl N-(pyridine-4-carbonylamino)carbamate, Isonicotinic acid, 2-carboxyhydrazide ethylene ester, ethane-1,2-diyl bis[2-(pyridin-4-ylcarbonyl)hydrazinecarboxylate], Isonicotinic acid,2-carboxyhydrazide ethylene ester (8CI)
| Molecular Formula | C16H16N6O6 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.11313 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 6959-94-0 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NNC(=O)OCCOC(=O)NNC(=O)C2=CC=NC=C2 |
| InChIKey | NHXIMLDGKLFTRP-UHFFFAOYSA-N |
Product Overview
Isoniazid analog (CAS 6959-94-0), with molecular formula C16H16N6O6 and molecular weight 388.11 g/mol. IUPAC: 2-[(pyridine-4-carbonylamino)carbamoyloxy]ethyl N-(pyridine-4-carbonylamino)carbamate.
Chemical Property Profile of Isoniazid analog
Property Insights of Isoniazid analog
The XLogP value of -0.1 indicates that Isoniazid analog is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Isoniazid analog may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoniazid analog has 4 hydrogen bond donor(s) and 8 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 Isoniazid analog?
The CAS number of Isoniazid analog is 6959-94-0.
What is the molecular formula of Isoniazid analog?
The molecular formula of Isoniazid analog is C16H16N6O6.
What is the molecular weight of Isoniazid analog?
The molecular weight of Isoniazid analog is 388.11 g/mol.
Where can I buy Isoniazid analog?
You can request a quote for Isoniazid analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoniazid analog?
Yes, KEHONG BIO provides custom synthesis services for Isoniazid analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.