Ochratoxin A
TL;DR: Ochratoxin A (CAS 112465-94-8) is a chemical compound with molecular formula C20H18ClNO6 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: OCHRATOXIN A, Antibiotic 9663, 3R14S-Ochratoxin A, Ochratoxin A(OTA), 03 - Mycotoxin
| Molecular Formula | C20H18ClNO6 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.08228 |
| Heavy Atoms | 28 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 112465-94-8 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl |
| InChIKey | RWQKHEORZBHNRI-BMIGLBTASA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ochratoxin A (CAS 112465-94-8), with molecular formula C20H18ClNO6 and molecular weight 403.08 g/mol. IUPAC: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Ochratoxin A
Property Insights of Ochratoxin A
The XLogP value of 4.7 indicates that Ochratoxin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochratoxin A. Following Lipinski's Rule of Five, Ochratoxin A has 3 hydrogen bond donor(s) and 6 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 A?
The CAS number of Ochratoxin A is 112465-94-8.
What is the molecular formula of Ochratoxin A?
The molecular formula of Ochratoxin A is C20H18ClNO6.
What is the molecular weight of Ochratoxin A?
The molecular weight of Ochratoxin A is 403.08 g/mol.
Where can I buy Ochratoxin A?
You can request a quote for Ochratoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochratoxin A?
Yes, KEHONG BIO provides custom synthesis services for Ochratoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.