1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-
TL;DR: 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- (CAS 167689-87-4) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-, 7-Chloro-4-(propan-2-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 7-chloro-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 4-Isopropyl-7-chloro-1H-1,4-benzodiazepine-2,5(3H,4H)-dione, 10-chloro-3-propan-2-yl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-2,5-dione
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 167689-87-4 |
|---|---|
| SMILES | CC(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)Cl |
| InChIKey | JZNZCOVAUYDQQM-UHFFFAOYSA-N |
Product Overview
1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- (CAS 167689-87-4), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 7-chloro-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-
Property Insights of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-. With a topological polar surface area (TPSA) of 49.4 Ų, 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- 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, 7-chloro-3,4-dihydro-4-(1-methylethyl)-?
The CAS number of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- is 167689-87-4.
What is the molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-?
The molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- is C12H13ClN2O2.
What is the molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-?
The molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- is 252.07 g/mol.
Where can I buy 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-?
You can request a quote for 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- 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, 7-chloro-3,4-dihydro-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.