Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate
TL;DR: Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate (CAS 90907-92-9) is a chemical compound with molecular formula C8H7Cl2NO4 and molecular weight 250.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate
Also Known As: N-dichloromaleolyl-glycine, N-Carbethoxymethyl-dichlormaleimid, ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate, ethyl(3,4-dichloro-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)acetate, ethyl (3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
| Molecular Formula | C8H7Cl2NO4 |
|---|---|
| Molecular Weight | 250.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.97522 |
| Heavy Atoms | 15 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 90907-92-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=C(C1=O)Cl)Cl |
| InChIKey | ROYMGYCGHDNMTR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate (CAS 90907-92-9), with molecular formula C8H7Cl2NO4 and molecular weight 250.98 g/mol. IUPAC: ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate
Property Insights of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate has 0 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 Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate?
The CAS number of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate is 90907-92-9.
What is the molecular formula of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate?
The molecular formula of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate is C8H7Cl2NO4.
What is the molecular weight of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate?
The molecular weight of Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate is 250.98 g/mol.
Where can I buy Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate?
You can request a quote for Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.