Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
TL;DR: Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- (CAS 56222-81-2) is a chemical compound with molecular formula C15H14ClNO8 and molecular weight 371.04 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]butanedioic acid
Also Known As: ASPARTIC ACID, N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-, N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)aspartic acid, (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]butanedioic acid, (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochroman-7-carbonyl]amino]butanedioic acid, N-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-aspartic acid
| Molecular Formula | C15H14ClNO8 |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 0.8047 |
| Topological Polar Surface Area | 150.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.0408 |
| Heavy Atoms | 25 |
| Complexity | 775.28516 |
Chemical Identifiers
| CAS Number | 56222-81-2 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)Cl |
Product Overview
Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- (CAS 56222-81-2), with molecular formula C15H14ClNO8 and molecular weight 371.04 g/mol. IUPAC: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]butanedioic acid.
Chemical Property Profile of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
Property Insights of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
The XLogP value of 0.8047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-. The TPSA of 150.23 Ų indicates high polarity, suggesting Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- 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 Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The CAS number of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is 56222-81-2.
What is the molecular formula of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The molecular formula of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is C15H14ClNO8.
What is the molecular weight of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
The molecular weight of Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- is 371.04 g/mol.
Where can I buy Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
You can request a quote for Aspartic acid, N-((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 Aspartic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid, N-((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.