1,3-二甲基吡咯烷-2,5-二酮
TL;DR: 1,3-二甲基吡咯烷-2,5-二酮 (CAS 15542-96-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二甲基吡咯烷-2,5-二酮
1,3-dimethylpyrrolidine-2,5-dione
Also Known As: 1,3-Dimethylpyrrolidine-2,5-dione, 1,3-dimethylsuccinimide, N-methyl-3-methylsuccinimide, 1,3-Dimethyl-2,5-pyrrolidindion, KST-1B0731
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 15542-96-8 |
|---|---|
| SMILES | CC1CC(=O)N(C1=O)C |
| InChIKey | NIXKACOKLPRDMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二甲基吡咯烷-2,5-二酮 (CAS 15542-96-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 1,3-dimethylpyrrolidine-2,5-dione.
Chemical Property Profile of 1,3-二甲基吡咯烷-2,5-二酮
Property Insights of 1,3-二甲基吡咯烷-2,5-二酮
The XLogP value of -0.3 indicates that 1,3-二甲基吡咯烷-2,5-二酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.4 Ų, 1,3-二甲基吡咯烷-2,5-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二甲基吡咯烷-2,5-二酮 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 1,3-二甲基吡咯烷-2,5-二酮?
The CAS number of 1,3-二甲基吡咯烷-2,5-二酮 is 15542-96-8.
What is the molecular formula of 1,3-二甲基吡咯烷-2,5-二酮?
The molecular formula of 1,3-二甲基吡咯烷-2,5-二酮 is C6H9NO2.
What is the molecular weight of 1,3-二甲基吡咯烷-2,5-二酮?
The molecular weight of 1,3-二甲基吡咯烷-2,5-二酮 is 127.06 g/mol.
Where can I buy 1,3-二甲基吡咯烷-2,5-二酮?
You can request a quote for 1,3-二甲基吡咯烷-2,5-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二甲基吡咯烷-2,5-二酮?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二甲基吡咯烷-2,5-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.