赭曲霉毒素A
TL;DR: 赭曲霉毒素A (CAS 303-47-9) 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.
赭曲霉毒素A
2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid
Also Known As: OCHRATOXIN A, Ochratoxin-A, Antibiotic 9663, 3-epi-Ochratoxin A, Alanine, (-)-
| 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 | 303-47-9 |
|---|---|
| SMILES | CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl |
| InChIKey | RWQKHEORZBHNRI-UHFFFAOYSA-N |
Product Overview
赭曲霉毒素A (CAS 303-47-9), with molecular formula C20H18ClNO6 and molecular weight 403.08 g/mol. IUPAC: 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of 赭曲霉毒素A
Property Insights of 赭曲霉毒素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 赭曲霉毒素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 303-47-9.
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.