(S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid
TL;DR: (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid (CAS 1173679-61-2) is a chemical compound with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoic acid
Also Known As: (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid, 3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoic Acid, N-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-4-yl)carbonyl]-L-valine, (2S)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoic acid
| Molecular Formula | C20H20N2O4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1423 |
| Heavy Atoms | 26 |
| Complexity | 861.3698 |
Chemical Identifiers
| CAS Number | 1173679-61-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC2=C1C(=O)N(C2)C3=CC=CC=C3 |
Product Overview
(S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid (CAS 1173679-61-2), with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol. IUPAC: (2S)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoic acid.
Chemical Property Profile of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid
Property Insights of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid. Following Lipinski's Rule of Five, (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid has 2 hydrogen bond donor(s) and 3 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 (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid?
The CAS number of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid is 1173679-61-2.
What is the molecular formula of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid?
The molecular formula of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid is C20H20N2O4.
What is the molecular weight of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid?
The molecular weight of (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid is 352.14 g/mol.
Where can I buy (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid?
You can request a quote for (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-methyl-2-(3-oxo-2-phenylisoindoline-4-carboxamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.