N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid
TL;DR: N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid (CAS 15142-91-3) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(3-oxo-1H-2-benzofuran-5-yl)amino]butanoic acid
Also Known As: N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid, BAS 00258801, 4-Oxo-4-((3-oxo-1,3-dihydroisobenzofuran-5-yl)amino)butanoic acid, 3-(1H-Indol-3-yl)-2-methylpropionic acid, 4-oxo-4-[(3-oxo-1H-2-benzofuran-5-yl)amino]butanoic acid
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.1603 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 523.1991 |
Chemical Identifiers
| CAS Number | 15142-91-3 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O1 |
Product Overview
N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid (CAS 15142-91-3), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 4-oxo-4-[(3-oxo-1H-2-benzofuran-5-yl)amino]butanoic acid.
Chemical Property Profile of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid
Property Insights of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid
The XLogP value of 1.1603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid. Following Lipinski's Rule of Five, N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid has 2 hydrogen bond donor(s) and 4 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 N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid?
The CAS number of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid is 15142-91-3.
What is the molecular formula of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid?
The molecular formula of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid is C12H11NO5.
What is the molecular weight of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid?
The molecular weight of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid is 249.06 g/mol.
Where can I buy N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid?
You can request a quote for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-succinamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.