(2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
TL;DR: (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid (CAS 338749-12-5) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
Also Known As: (2S)-3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, (2S)-3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid, (S)-3,3-Dimethyl-2-(1-oxoisoindolin-2-yl)butanoicacid, (2S)-3,3-dimethyl-2-(1-oxoisoindolin-2-yl)butanoic acid, (S)-3,3-Dimethyl-2-(1-oxoisoindolin-2-yl)butanoic acid
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.1417 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 502.00574 |
Chemical Identifiers
| CAS Number | 338749-12-5 |
|---|---|
| SMILES | CC(C)(C)[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O |
Product Overview
(2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid (CAS 338749-12-5), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: (2S)-3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid.
Chemical Property Profile of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Property Insights of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
The XLogP value of 2.1417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid has 1 hydrogen bond donor(s) and 2 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 (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The CAS number of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is 338749-12-5.
What is the molecular formula of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The molecular formula of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is C14H17NO3.
What is the molecular weight of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The molecular weight of (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is 247.12 g/mol.
Where can I buy (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
You can request a quote for (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.