4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
TL;DR: 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CAS 167689-85-2) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 4-tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 4-(tert-Butyl)-7-chloro-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 4-tert-Butyl-7-chloro-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 4-tert-Butyl-7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 7-chloro-4-tert-butyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 167689-85-2 |
|---|---|
| SMILES | CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)Cl |
| InChIKey | OELNYTJWSYITDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CAS 167689-85-2), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: 4-tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Property Insights of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-7-chloro-1,3-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
Frequently Asked Questions
What is the CAS number of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The CAS number of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione is 167689-85-2.
What is the molecular formula of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The molecular formula of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione is C13H15ClN2O2.
What is the molecular weight of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The molecular weight of 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione is 266.08 g/mol.
Where can I buy 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
You can request a quote for 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.