Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-
TL;DR: Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- (CAS 42406-53-1) is a chemical compound with molecular formula C12H9NO6 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-dioxoisoindol-2-yl)butanedioic acid
Also Known As: Tandamine, N-Phthaloyl-L-aspartic acid, (2S)-2-(1,3-dioxoisoindol-2-yl)butanedioic acid, Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-, (2R)-2-(1,3-dioxoisoindol-2-yl)butanedioic acid
| Molecular Formula | C12H9NO6 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.043 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 42406-53-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CC(=O)O)C(=O)O |
| InChIKey | JHEGVHCZUULIPW-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- (CAS 42406-53-1), with molecular formula C12H9NO6 and molecular weight 263.04 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)butanedioic acid.
Chemical Property Profile of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-
Property Insights of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-. Following Lipinski's Rule of Five, Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- has 2 hydrogen bond donor(s) and 6 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 Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-?
The CAS number of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- is 42406-53-1.
What is the molecular formula of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-?
The molecular formula of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- is C12H9NO6.
What is the molecular weight of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-?
The molecular weight of Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- is 263.04 g/mol.
Where can I buy Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-?
You can request a quote for Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.