(S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid
TL;DR: (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid (CAS 180923-80-2) 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)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
Also Known As: Bionet2_000421, (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid, (2S)-2-(1-Oxoisoindoline-2-yl)-4-methylvaleric acid, (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid, (2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic 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 | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 481.68237 |
Chemical Identifiers
| CAS Number | 180923-80-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O |
Product Overview
(S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid (CAS 180923-80-2), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: (2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid.
Chemical Property Profile of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid
Property Insights of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid
The XLogP value of 2.1417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic 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 (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid?
The CAS number of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid is 180923-80-2.
What is the molecular formula of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid?
The molecular formula of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid is C14H17NO3.
What is the molecular weight of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid?
The molecular weight of (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid is 247.12 g/mol.
Where can I buy (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid?
You can request a quote for (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.