10-Hydroxyochratoxin A
TL;DR: 10-Hydroxyochratoxin A (CAS 85911-04-2) 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)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: 10-Hydroxyochratoxin A, J1.128.160E, N-{[5-Chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}phenylalanine, (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid, (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
| Molecular Formula | C20H18ClNO7 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.07718 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 85911-04-2 |
|---|---|
| SMILES | C1[C@@H](OC(=O)C2=C(C(=CC(=C21)Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)CO |
| InChIKey | GHTAWZGQTQGHOQ-ABAIWWIYSA-N |
Product Overview
10-Hydroxyochratoxin A (CAS 85911-04-2), with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol. IUPAC: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 10-Hydroxyochratoxin A
Property Insights of 10-Hydroxyochratoxin A
The XLogP value of 3.7 indicates that 10-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 10-Hydroxyochratoxin A. Following Lipinski's Rule of Five, 10-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 10-Hydroxyochratoxin A?
The CAS number of 10-Hydroxyochratoxin A is 85911-04-2.
What is the molecular formula of 10-Hydroxyochratoxin A?
The molecular formula of 10-Hydroxyochratoxin A is C20H18ClNO7.
What is the molecular weight of 10-Hydroxyochratoxin A?
The molecular weight of 10-Hydroxyochratoxin A is 419.08 g/mol.
Where can I buy 10-Hydroxyochratoxin A?
You can request a quote for 10-Hydroxyochratoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Hydroxyochratoxin A?
Yes, KEHONG BIO provides custom synthesis services for 10-Hydroxyochratoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.