(S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid
TL;DR: (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid (CAS 1173686-92-4) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]propanoic acid
Also Known As: (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid, 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]propanoic Acid, N-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-4-yl)carbonyl]-L-alanine
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.0499 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 817.0234 |
Chemical Identifiers
| CAS Number | 1173686-92-4 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)C1=CC=CC2=C1C(=O)N(C2)C3=CC=CC=C3 |
Product Overview
(S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid (CAS 1173686-92-4), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: (2S)-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]propanoic acid.
Chemical Property Profile of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid
Property Insights of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid
The XLogP value of 2.0499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic 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)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid?
The CAS number of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid is 1173686-92-4.
What is the molecular formula of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid?
The molecular formula of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid is C18H16N2O4.
What is the molecular weight of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid?
The molecular weight of (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid is 324.11 g/mol.
Where can I buy (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid?
You can request a quote for (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-oxo-2-phenylisoindoline-4-carboxamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.