1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
TL;DR: 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 404835-53-6) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Also Known As: BAS 06306202, 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide, 1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide, AO-081/15572355, 1-(3,4-Dimethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid amide
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.14164 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 482.30786 |
Chemical Identifiers
| CAS Number | 404835-53-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N)C |
Product Overview
1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 404835-53-6), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Property Insights of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
The XLogP value of 1.14164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has 1 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 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The CAS number of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is 404835-53-6.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular formula of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is C13H16N2O2.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular weight of 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is 232.12 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
You can request a quote for 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.