4-Hydroxyochratoxin A
TL;DR: 4-Hydroxyochratoxin A (CAS 35299-87-7) is a chemical compound with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: 4-Hydroxyochratoxin A, (4R)-4-Hydroxyochratoxin A, (4R)-Hydroxyochratoxin A, 4(R)-HYDROXYOCHRATOXIN A, 4-HYDROXYOCHRATOXIN A, (4S)-
| Molecular Formula | C20H18ClNO7 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.07718 |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 35299-87-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl)O |
| InChIKey | BCZIFDALJWPHTK-YYFNMXAFSA-N |
Product Overview
4-Hydroxyochratoxin A (CAS 35299-87-7), with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol. IUPAC: (2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 4-Hydroxyochratoxin A
Property Insights of 4-Hydroxyochratoxin A
The XLogP value of 3.6 indicates that 4-Hydroxyochratoxin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyochratoxin A. Following Lipinski's Rule of Five, 4-Hydroxyochratoxin A has 4 hydrogen bond donor(s) and 7 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 4-Hydroxyochratoxin A?
The CAS number of 4-Hydroxyochratoxin A is 35299-87-7.
What is the molecular formula of 4-Hydroxyochratoxin A?
The molecular formula of 4-Hydroxyochratoxin A is C20H18ClNO7.
What is the molecular weight of 4-Hydroxyochratoxin A?
The molecular weight of 4-Hydroxyochratoxin A is 419.08 g/mol.
Where can I buy 4-Hydroxyochratoxin A?
You can request a quote for 4-Hydroxyochratoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyochratoxin A?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyochratoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.