N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine
TL;DR: N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine (CAS 56222-77-6) is a chemical compound with molecular formula C16H18ClNO6S and molecular weight 387.05 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-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine, Methionine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-, (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-4-methylsulfanylbutanoic acid, N-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]methionine, N-{[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}-L-methionine
| Molecular Formula | C16H18ClNO6S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.05432 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 56222-77-6 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CCSC)C(=O)O)Cl |
| InChIKey | SQTHKWCCPRSZIW-HQJQHLMTSA-N |
Product Overview
N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine (CAS 56222-77-6), with molecular formula C16H18ClNO6S and molecular weight 387.05 g/mol. IUPAC: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine
Property Insights of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine
The XLogP value of 3.8 indicates that N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine. Following Lipinski's Rule of Five, N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine has 3 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 N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine?
The CAS number of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine is 56222-77-6.
What is the molecular formula of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine?
The molecular formula of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine is C16H18ClNO6S.
What is the molecular weight of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine?
The molecular weight of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine is 387.05 g/mol.
Where can I buy N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine?
You can request a quote for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine 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)methionine?
Yes, KEHONG BIO provides custom synthesis services for N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)methionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.