3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione
TL;DR: 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione (CAS 58162-46-2) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(2-ethyl-6-methylphenyl)pyrrolidine-2,5-dione
Also Known As: 3-chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione, AJ-078/33275004, 3-chloro-1-(2-ethyl-6-methylphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C13H14ClNO2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.42812 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0713 |
| Heavy Atoms | 17 |
| Complexity | 484.30786 |
Chemical Identifiers
| CAS Number | 58162-46-2 |
|---|---|
| SMILES | CCC1=CC=CC(=C1N2C(=O)CC(C2=O)Cl)C |
Product Overview
3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione (CAS 58162-46-2), with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol. IUPAC: 3-chloro-1-(2-ethyl-6-methylphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione
Property Insights of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione
The XLogP value of 2.42812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione. With a topological polar surface area (TPSA) of 37.38 Ų, 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione has 0 hydrogen bond donor(s) and 2 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-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione?
The CAS number of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione is 58162-46-2.
What is the molecular formula of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione?
The molecular formula of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione is C13H14ClNO2.
What is the molecular weight of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione?
The molecular weight of 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione is 251.07 g/mol.
Where can I buy 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione?
You can request a quote for 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(2-ethyl-6-methylphenyl)-2,5-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.