2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid
TL;DR: 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid (CAS 5706-89-8) is a chemical compound with molecular formula C11H6ClNO4 and molecular weight 251.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid
Also Known As: 2-chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid, BAS 00705031, BIM-0028899.P001, 2-chloro-4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, AB00094234-01
| Molecular Formula | C11H6ClNO4 |
|---|---|
| Molecular Weight | 251.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.99854 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 5706-89-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=O)C=CC2=O)Cl)C(=O)O |
| InChIKey | HQOFUIDDNBUQEK-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid (CAS 5706-89-8), with molecular formula C11H6ClNO4 and molecular weight 251.00 g/mol. IUPAC: 2-chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid.
Chemical Property Profile of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid
Property Insights of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic 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-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid?
The CAS number of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid is 5706-89-8.
What is the molecular formula of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid?
The molecular formula of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid is C11H6ClNO4.
What is the molecular weight of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid?
The molecular weight of 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid is 251.00 g/mol.
Where can I buy 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid?
You can request a quote for 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(2,5-dioxopyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.