1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-
TL;DR: 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- (CAS 167689-91-0) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-, 4-tert-Butyl-7-methyl-3,4-dihydro-1H-1,4- benzodiazepine-2,5-dione, 4-(tert-Butyl)-7-methyl-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 4-tert-butyl-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 4-tert-Butyl-7-methyl-1H-1,4-benzodiazepine-2,5(3H,4H)-dione
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 167689-91-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CN(C2=O)C(C)(C)C |
| InChIKey | SEULDRGWTJALJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- (CAS 167689-91-0), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 4-tert-butyl-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-
Property Insights of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-. With a topological polar surface area (TPSA) of 49.4 Ų, 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- 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 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-?
The CAS number of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- is 167689-91-0.
What is the molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-?
The molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- is C14H18N2O2.
What is the molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-?
The molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- is 246.14 g/mol.
Where can I buy 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-?
You can request a quote for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.