Ochratoxin B
TL;DR: Ochratoxin B (CAS 4825-86-9) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: OCHRATOXIN B, Ochratoxin B(OTB), Ochratoxin B solution, Epitope ID:832124, OCHRATOXIN B [MI]
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 573.0 |
| Melting Point | 221.1 °C |
Chemical Identifiers
| CAS Number | 4825-86-9 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 |
| InChIKey | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ochratoxin B (CAS 4825-86-9), with molecular formula C20H19NO6 and molecular weight 369.12 g/mol. IUPAC: (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Ochratoxin B
Property Insights of Ochratoxin B
The XLogP value of 4.1 indicates that Ochratoxin B 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 B. Following Lipinski's Rule of Five, Ochratoxin B 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 B?
The CAS number of Ochratoxin B is 4825-86-9.
What is the molecular formula of Ochratoxin B?
The molecular formula of Ochratoxin B is C20H19NO6.
What is the molecular weight of Ochratoxin B?
The molecular weight of Ochratoxin B is 369.12 g/mol.
Where can I buy Ochratoxin B?
You can request a quote for Ochratoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochratoxin B?
Yes, KEHONG BIO provides custom synthesis services for Ochratoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.