1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline
TL;DR: 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline (CAS 56222-75-4) is a chemical compound with molecular formula C16H16ClNO7 and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Also Known As: Hydroxyproline ochratoxin A, 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline, Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxy-, 1-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-4-hydroxyproline, 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
| Molecular Formula | C16H16ClNO7 |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 0.807 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.06152 |
| Heavy Atoms | 25 |
| Complexity | 778.237 |
Chemical Identifiers
| CAS Number | 56222-75-4 |
|---|---|
| SMILES | CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CC(CC3C(=O)O)O)Cl |
Product Overview
1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline (CAS 56222-75-4), with molecular formula C16H16ClNO7 and molecular weight 369.06 g/mol. IUPAC: 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline
Property Insights of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline
The XLogP value of 0.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline. The TPSA of 124.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline. Following Lipinski's Rule of Five, 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline 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 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline?
The CAS number of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline is 56222-75-4.
What is the molecular formula of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline?
The molecular formula of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline is C16H16ClNO7.
What is the molecular weight of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline?
The molecular weight of 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline is 369.06 g/mol.
Where can I buy 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline?
You can request a quote for 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.