Isoniazid glucuronate
TL;DR: Isoniazid glucuronate (CAS 25019-85-6) is a chemical compound with molecular formula C12H15N3O7 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5S,6E)-2,3,4,5-tetrahydroxy-6-(pyridine-4-carbonylhydrazinylidene)hexanoic acid
Also Known As: Isoniazid Glucuronate, Isonicotinic acid, 1-hydrazone with D-glucuronic acid, GLUCURONIC ACID, ISONICOTINOYLHYDRAZONE, D-, D-Glucuronic acid, 1-((4-pyridinylcarbonyl)hydrazone), D-GLUCURONIC ACID, 1-(2-(4-PYRIDINYLCARBONYL)HYDRAZONE)
| Molecular Formula | C12H15N3O7 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | -2.6746 |
| Topological Polar Surface Area | 172.57 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.091 |
| Heavy Atoms | 22 |
| Complexity | 536.78125 |
Chemical Identifiers
| CAS Number | 25019-85-6 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)N/N=C/[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O |
Product Overview
Isoniazid glucuronate (CAS 25019-85-6), with molecular formula C12H15N3O7 and molecular weight 313.09 g/mol. IUPAC: (2S,3S,4R,5S,6E)-2,3,4,5-tetrahydroxy-6-(pyridine-4-carbonylhydrazinylidene)hexanoic acid.
Chemical Property Profile of Isoniazid glucuronate
Property Insights of Isoniazid glucuronate
The XLogP value of -2.6746 indicates that Isoniazid glucuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.57 Ų indicates high polarity, suggesting Isoniazid glucuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoniazid glucuronate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoniazid glucuronate?
The CAS number of Isoniazid glucuronate is 25019-85-6.
What is the molecular formula of Isoniazid glucuronate?
The molecular formula of Isoniazid glucuronate is C12H15N3O7.
What is the molecular weight of Isoniazid glucuronate?
The molecular weight of Isoniazid glucuronate is 313.09 g/mol.
Where can I buy Isoniazid glucuronate?
You can request a quote for Isoniazid glucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoniazid glucuronate?
Yes, KEHONG BIO provides custom synthesis services for Isoniazid glucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.