1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
TL;DR: 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CAS 102694-58-6) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 1-ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione, 1-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CCN1C2=CC=CC=C2C(=O)NC(C1=O)C |
| InChIKey | NVGRKENUVMTZEV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
Property Insights of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione 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
What is the CAS number of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The CAS number of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is 102694-58-6.
What is the molecular formula of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The molecular formula of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is C12H14N2O2.
What is the molecular weight of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The molecular weight of 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is 218.10553 g/mol.
Where can I buy 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
You can request a quote for 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.