4-Chloro-2,5-dioxopyrrole-3-carbonitrile
TL;DR: 4-Chloro-2,5-dioxopyrrole-3-carbonitrile (CAS 98027-73-7) is a chemical compound with molecular formula C5HClN2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,5-dioxopyrrole-3-carbonitrile
Also Known As: 2-chloro-3-cyanomaleimide, 4-chloro-2,5-dioxopyrrole-3-carbonitrile, 4-chloro-2,5-dioxo-2,5-dihydro-1h-pyrrole-3-carbonitrile
| Molecular Formula | C5HClN2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.97266 |
| Heavy Atoms | 10 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 98027-73-7 |
|---|---|
| SMILES | C(#N)C1=C(C(=O)NC1=O)Cl |
| InChIKey | VRVDGMNHEGLVSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,5-dioxopyrrole-3-carbonitrile (CAS 98027-73-7), with molecular formula C5HClN2O2 and molecular weight 155.97 g/mol. IUPAC: 4-chloro-2,5-dioxopyrrole-3-carbonitrile.
Chemical Property Profile of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile
Property Insights of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,5-dioxopyrrole-3-carbonitrile. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,5-dioxopyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-2,5-dioxopyrrole-3-carbonitrile 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 4-Chloro-2,5-dioxopyrrole-3-carbonitrile?
The CAS number of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile is 98027-73-7.
What is the molecular formula of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile?
The molecular formula of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile is C5HClN2O2.
What is the molecular weight of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile?
The molecular weight of 4-Chloro-2,5-dioxopyrrole-3-carbonitrile is 155.97 g/mol.
Where can I buy 4-Chloro-2,5-dioxopyrrole-3-carbonitrile?
You can request a quote for 4-Chloro-2,5-dioxopyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,5-dioxopyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,5-dioxopyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.