1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-
TL;DR: 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- (CAS 167689-92-1) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-7-methoxy-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-methoxy-, 4-tert-butyl-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 4-tert-butyl-7-methoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 4-tert-Butyl-7-methoxy-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 10-methoxy-3-tert-butyl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-2,5-dione
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 167689-92-1 |
|---|---|
| SMILES | CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)OC |
| InChIKey | PGELZZRCBDJCSO-UHFFFAOYSA-N |
Product Overview
1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- (CAS 167689-92-1), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: 4-tert-butyl-7-methoxy-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-methoxy-
Property Insights of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-
The XLogP value of 1.3 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-methoxy-. With a topological polar surface area (TPSA) of 58.6 Ų, 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- 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-methoxy- has 1 hydrogen bond donor(s) and 3 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-methoxy-?
The CAS number of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- is 167689-92-1.
What is the molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-?
The molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- is C14H18N2O3.
What is the molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-?
The molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- is 262.13 g/mol.
Where can I buy 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-?
You can request a quote for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- 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-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.