2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
TL;DR: 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid (CAS 98130-71-3) is a chemical compound with molecular formula C6H3Cl2NO4 and molecular weight 222.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetic acid
Also Known As: 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid, 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetic acid, 2-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)acetic Acid, (3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid, 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)aceticacid
| Molecular Formula | C6H3Cl2NO4 |
|---|---|
| Molecular Weight | 222.94 g/mol |
| LogP | 0.129 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.94391 |
| Heavy Atoms | 13 |
| Complexity | 311.52594 |
Chemical Identifiers
| CAS Number | 98130-71-3 |
|---|---|
| SMILES | C(C(=O)O)N1C(=O)C(=C(C1=O)Cl)Cl |
Product Overview
2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid (CAS 98130-71-3), with molecular formula C6H3Cl2NO4 and molecular weight 222.94 g/mol. IUPAC: 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetic acid.
Chemical Property Profile of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
Property Insights of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
The XLogP value of 0.129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic 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 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid?
The CAS number of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid is 98130-71-3.
What is the molecular formula of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid?
The molecular formula of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid is C6H3Cl2NO4.
What is the molecular weight of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid?
The molecular weight of 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid is 222.94 g/mol.
Where can I buy 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid?
You can request a quote for 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-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-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.