3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid
TL;DR: 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid (CAS 478249-84-2) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-3-ylpropanoic acid
Also Known As: 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid, 3-(1-Oxoisoindolin-2-yl)-3-(thiophen-3-yl)propanoic acid, oxodihydroisoindolylthienylpropanoicacid, 3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-3-ylpropanoic acid, 9R-0616
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.9199 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 650.8981 |
Chemical Identifiers
| CAS Number | 478249-84-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CSC=C3 |
Product Overview
3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid (CAS 478249-84-2), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-3-ylpropanoic acid.
Chemical Property Profile of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid
Property Insights of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid
The XLogP value of 2.9199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid has 1 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 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid?
The CAS number of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid is 478249-84-2.
What is the molecular formula of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid?
The molecular formula of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid is C15H13NO3S.
What is the molecular weight of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid?
The molecular weight of 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid is 287.06 g/mol.
Where can I buy 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid?
You can request a quote for 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-thienyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.