Vadrine
TL;DR: Vadrine (CAS 3547-60-2) is a chemical compound with molecular formula C14H12N4O5 and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-hydroxybenzoic acid;5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
Also Known As: Vadrine, 5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol p-aminosalicylate, 4-amino-2-hydroxybenzoic acid;5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one, 1,3,4-Oxadiazol-2(3H)-one, 5-(4-pyridinyl)-, mono(4-amino-2-hydroxybenzoate), 4-Aminosalicylic acid, compd. with 2-(4-pyridyl)-delta(2)-1,3,4-oxadiazolin-5-one (1:1)
| Molecular Formula | C14H12N4O5 |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 1.0975 |
| Topological Polar Surface Area | 155.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.08078 |
| Heavy Atoms | 23 |
| Complexity | 856.85913 |
Chemical Identifiers
| CAS Number | 3547-60-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)O)C(=O)O.C1=CN=CC=C1C2=NNC(=O)O2 |
Product Overview
Vadrine (CAS 3547-60-2), with molecular formula C14H12N4O5 and molecular weight 316.08 g/mol. IUPAC: 4-amino-2-hydroxybenzoic acid;5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of Vadrine
Property Insights of Vadrine
The XLogP value of 1.0975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vadrine. The TPSA of 155.33 Ų indicates high polarity, suggesting Vadrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vadrine has 4 hydrogen bond donor(s) and 7 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 Vadrine?
The CAS number of Vadrine is 3547-60-2.
What is the molecular formula of Vadrine?
The molecular formula of Vadrine is C14H12N4O5.
What is the molecular weight of Vadrine?
The molecular weight of Vadrine is 316.08 g/mol.
Where can I buy Vadrine?
You can request a quote for Vadrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vadrine?
Yes, KEHONG BIO provides custom synthesis services for Vadrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.