Ochratoxin alpha
TL;DR: Ochratoxin alpha (CAS 19165-63-0) is a chemical compound with molecular formula C11H9ClO5 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
Also Known As: Ochratoxin alpha, alpha-Ochratoxin, Ochratoxin ??, (R)-ochratoxin alpha, (R)-Ochratoxin
| Molecular Formula | C11H9ClO5 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.01385 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 19165-63-0 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)O)Cl |
| InChIKey | OSFWJKYWJMZKSM-SCSAIBSYSA-N |
Product Overview
Ochratoxin alpha (CAS 19165-63-0), with molecular formula C11H9ClO5 and molecular weight 256.01 g/mol. IUPAC: (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid.
Chemical Property Profile of Ochratoxin alpha
Property Insights of Ochratoxin alpha
The XLogP value of 3.4 indicates that Ochratoxin alpha is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochratoxin alpha. Following Lipinski's Rule of Five, Ochratoxin alpha has 2 hydrogen bond donor(s) and 5 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 Ochratoxin alpha?
The CAS number of Ochratoxin alpha is 19165-63-0.
What is the molecular formula of Ochratoxin alpha?
The molecular formula of Ochratoxin alpha is C11H9ClO5.
What is the molecular weight of Ochratoxin alpha?
The molecular weight of Ochratoxin alpha is 256.01 g/mol.
Where can I buy Ochratoxin alpha?
You can request a quote for Ochratoxin alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochratoxin alpha?
Yes, KEHONG BIO provides custom synthesis services for Ochratoxin alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.