N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine
TL;DR: N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine (CAS 53011-67-9) 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-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Ochratoxin TA, N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine, (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid, Tyrosine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-, (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C20H18ClNO7 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 2.2783 |
| Topological Polar Surface Area | 133.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.07718 |
| Heavy Atoms | 29 |
| Complexity | 987.3145 |
Chemical Identifiers
| CAS Number | 53011-67-9 |
|---|---|
| SMILES | CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)Cl |
Product Overview
N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine (CAS 53011-67-9), with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol. IUPAC: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine
Property Insights of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine
The XLogP value of 2.2783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine. The TPSA of 133.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine. Following Lipinski's Rule of Five, N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine has 4 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 N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine?
The CAS number of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine is 53011-67-9.
What is the molecular formula of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine?
The molecular formula of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine is C20H18ClNO7.
What is the molecular weight of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine?
The molecular weight of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine is 419.08 g/mol.
Where can I buy N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine?
You can request a quote for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine?
Yes, KEHONG BIO provides custom synthesis services for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.