Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
TL;DR: Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- (CAS 56222-79-8) is a chemical compound with molecular formula C16H16ClNO6 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]pyrrolidine-2-carboxylic acid
Also Known As: Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-, 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)proline, (2S)-1-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]pyrrolidine-2-carboxylic acid, 1-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-proline
| Molecular Formula | C16H16ClNO6 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.06662 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 56222-79-8 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CCC[C@H]3C(=O)O)Cl |
| InChIKey | OHZVDZWNWXFDPJ-HQJQHLMTSA-N |
Product Overview
Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- (CAS 56222-79-8), with molecular formula C16H16ClNO6 and molecular weight 353.07 g/mol. IUPAC: (2S)-1-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
Property Insights of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-. Following Lipinski's Rule of Five, Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- has 2 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 Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The CAS number of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is 56222-79-8.
What is the molecular formula of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The molecular formula of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is C16H16ClNO6.
What is the molecular weight of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The molecular weight of Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is 353.07 g/mol.
Where can I buy Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
You can request a quote for Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Proline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.