Ochratoxin C
TL;DR: Ochratoxin C (CAS 4865-85-4) is a chemical compound with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate
Also Known As: OCHRATOXIN C, Ochratoxin A ethyl ester, Epitope ID:832125, OCHRATOXIN C [MI], OCHRATOXIN C [HSDB]
| Molecular Formula | C22H22ClNO6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.11356 |
| Heavy Atoms | 30 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 4865-85-4 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C3C[C@H](OC(=O)C3=C2O)C)Cl |
| InChIKey | BPZZWRPHVVDAPT-PXAZEXFGSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ochratoxin C (CAS 4865-85-4), with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol. IUPAC: ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Ochratoxin C
Property Insights of Ochratoxin C
The XLogP value of 5.4 indicates that Ochratoxin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochratoxin C. Following Lipinski's Rule of Five, Ochratoxin C has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ochratoxin C?
The CAS number of Ochratoxin C is 4865-85-4.
What is the molecular formula of Ochratoxin C?
The molecular formula of Ochratoxin C is C22H22ClNO6.
What is the molecular weight of Ochratoxin C?
The molecular weight of Ochratoxin C is 431.11 g/mol.
Where can I buy Ochratoxin C?
You can request a quote for Ochratoxin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochratoxin C?
Yes, KEHONG BIO provides custom synthesis services for Ochratoxin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.