9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-
TL;DR: 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- (CAS 167690-08-6) is a chemical compound with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-7-chloro-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-, 9-Chloro-11-methyl-5-tert-butyl-2,5-diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 4-tert-butyl-7-chloro-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 4-tert-Butyl-7-chloro-9-methyl-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo[5.4.0]undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-
| Molecular Formula | C14H17ClN2O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.09787 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 167690-08-6 |
|---|---|
| SMILES | CC1=CC(=CC2=C1NC(=O)CN(C2=O)C(C)(C)C)Cl |
| InChIKey | AYJBXJMVXUPPKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- (CAS 167690-08-6), with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol. IUPAC: 4-tert-butyl-7-chloro-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-
Property Insights of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-. With a topological polar surface area (TPSA) of 49.4 Ų, 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- 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 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-?
The CAS number of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- is 167690-08-6.
What is the molecular formula of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-?
The molecular formula of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- is C14H17ClN2O2.
What is the molecular weight of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-?
The molecular weight of 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- is 280.10 g/mol.
Where can I buy 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-?
You can request a quote for 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-11-methyl-5-tert-butyl-2,5-Diazabicyclo(5.4.0)undeca-8,10,12-triene-3,6-dione, 9-chloro-11-methyl-5-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.