2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
TL;DR: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid (CAS 111104-25-7) is a chemical compound with molecular formula C10H5Cl2NO4 and molecular weight 272.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
Also Known As: 2-(5,6-Dichloro-1,3-dioxoisoindolin-2-yl)acetic acid, ChemDiv3_002307, (5,6-Dichloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid, 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid, 2H-Isoindole-2-aceticacid, 5,6-dichloro-1,3-dihydro-1,3-dioxo-
| Molecular Formula | C10H5Cl2NO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.95956 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 111104-25-7 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)C(=O)N(C2=O)CC(=O)O |
| InChIKey | LHYSAUZLKMKURN-UHFFFAOYSA-N |
Product Overview
2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid (CAS 111104-25-7), with molecular formula C10H5Cl2NO4 and molecular weight 272.96 g/mol. IUPAC: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid.
Chemical Property Profile of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
Property Insights of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid. Following Lipinski's Rule of Five, 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid has 1 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 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid?
The CAS number of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid is 111104-25-7.
What is the molecular formula of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid?
The molecular formula of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid is C10H5Cl2NO4.
What is the molecular weight of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid?
The molecular weight of 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid is 272.96 g/mol.
Where can I buy 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid?
You can request a quote for 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.