Pyruvic acid calcium isoniazid
TL;DR: Pyruvic acid calcium isoniazid (CAS 3428-05-5) is a chemical compound with molecular formula C18H16CaN6O6 and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(pyridine-4-carbonylhydrazinylidene)propanoate)
Also Known As: Isoniazid calcium pyruvate, Pyruvic acid calcium isoniazid, Isoniazid calcium pyruvinate, Pyruvic acid calcium isoniazone, Pyruvic acid calcium isoniazid [JAN]
| Molecular Formula | C18H16CaN6O6 |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | -2.51 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.0757 |
| Heavy Atoms | 31 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 3428-05-5 |
|---|---|
| SMILES | CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].[Ca+2] |
| InChIKey | MNXSNBWJLVPGGM-UHFFFAOYSA-L |
Product Overview
Pyruvic acid calcium isoniazid (CAS 3428-05-5), with molecular formula C18H16CaN6O6 and molecular weight 452.08 g/mol. IUPAC: calcium bis(2-(pyridine-4-carbonylhydrazinylidene)propanoate).
Chemical Property Profile of Pyruvic acid calcium isoniazid
Property Insights of Pyruvic acid calcium isoniazid
The XLogP value of -2.51 indicates that Pyruvic acid calcium isoniazid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Pyruvic acid calcium isoniazid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyruvic acid calcium isoniazid has 2 hydrogen bond donor(s) and 10 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 Pyruvic acid calcium isoniazid?
The CAS number of Pyruvic acid calcium isoniazid is 3428-05-5.
What is the molecular formula of Pyruvic acid calcium isoniazid?
The molecular formula of Pyruvic acid calcium isoniazid is C18H16CaN6O6.
What is the molecular weight of Pyruvic acid calcium isoniazid?
The molecular weight of Pyruvic acid calcium isoniazid is 452.08 g/mol.
Where can I buy Pyruvic acid calcium isoniazid?
You can request a quote for Pyruvic acid calcium isoniazid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyruvic acid calcium isoniazid?
Yes, KEHONG BIO provides custom synthesis services for Pyruvic acid calcium isoniazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.