异烟肼
TL;DR: 异烟肼 (CAS 54-85-3) is a chemical compound with molecular formula C6H7N3O and molecular weight 137.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异烟肼
pyridine-4-carbohydrazide
Also Known As: isoniazid, Isonicotinic acid hydrazide, Isonicotinohydrazide, Isoniazide, Rimifon
| Molecular Formula | C6H7N3O |
|---|---|
| Molecular Weight | 137.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.05891 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| Melting Point | 171.4 °C |
| Solubility | greater than or equal to 100 mg/mL at 77 °F (NTP, 1992) |
| Flash Point | 190.0 °C |
| Vapor Pressure | Negligible |
Chemical Identifiers
| CAS Number | 54-85-3 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NN |
| InChIKey | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异烟肼 (CAS 54-85-3), with molecular formula C6H7N3O and molecular weight 137.06 g/mol. IUPAC: pyridine-4-carbohydrazide.
Chemical Property Profile of 异烟肼
Property Insights of 异烟肼
The XLogP value of -0.7 indicates that 异烟肼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异烟肼. Following Lipinski's Rule of Five, 异烟肼 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 异烟肼?
The CAS number of 异烟肼 is 54-85-3.
What is the molecular formula of 异烟肼?
The molecular formula of 异烟肼 is C6H7N3O.
What is the molecular weight of 异烟肼?
The molecular weight of 异烟肼 is 137.06 g/mol.
Where can I buy 异烟肼?
You can request a quote for 异烟肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟肼?
Yes, KEHONG BIO provides custom synthesis services for 异烟肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.