8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
TL;DR: 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CAS 5973-31-9) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 8-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione, 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5973-31-9 |
|---|---|
| SMILES | CN1C(=O)CNC(=O)C2=C1C=C(C=C2)Cl |
| InChIKey | KRRCABDKSTUBBI-UHFFFAOYSA-N |
Product Overview
8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CAS 5973-31-9), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: 8-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Property Insights of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-1-methyl-3,4-dihydro-1H-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 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The CAS number of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is 5973-31-9.
What is the molecular formula of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The molecular formula of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is C10H9ClN2O2.
What is the molecular weight of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The molecular weight of 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is 224.04 g/mol.
Where can I buy 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
You can request a quote for 8-Chloro-1-methyl-3,4-dihydro-1H-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 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.