3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione
TL;DR: 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione (CAS 66312-06-9) is a chemical compound with molecular formula C9H6ClNO2S and molecular weight 226.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(5-methylthiophen-2-yl)pyrrole-2,5-dione
Also Known As: 3-chloro-4-(5-methylthiophen-2-yl)pyrrole-2,5-dione, 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione, 1H-PYRROLE-2,5-DIONE,3-CHLORO-4-(5-METHYL-2-THIENYL)-
| Molecular Formula | C9H6ClNO2S |
|---|---|
| Molecular Weight | 226.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.98077 |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 66312-06-9 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=C(C(=O)NC2=O)Cl |
| InChIKey | JRZNSGJKGWAVQK-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione (CAS 66312-06-9), with molecular formula C9H6ClNO2S and molecular weight 226.98 g/mol. IUPAC: 3-chloro-4-(5-methylthiophen-2-yl)pyrrole-2,5-dione.
Chemical Property Profile of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione
Property Insights of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione. Following Lipinski's Rule of Five, 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione 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 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione?
The CAS number of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione is 66312-06-9.
What is the molecular formula of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione?
The molecular formula of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione is C9H6ClNO2S.
What is the molecular weight of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione?
The molecular weight of 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione is 226.98 g/mol.
Where can I buy 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione?
You can request a quote for 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.