5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-
TL;DR: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- (CAS 63931-68-0) is a chemical compound with molecular formula C9H8ClN3O and molecular weight 209.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one
Also Known As: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-, 5-26-04-00345 (Beilstein Handbook Reference), 7-chloro-4-methyl-1,4-dihydro-5h-1,2,4-benzotriazepin-5-one, 7-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one, 1,4-Dihydro-7-chloro-4-methyl-5H-1,2,4-benzotriazepin-5-one
Technical Specifications
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.03558 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.03558 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | CN1C=NNC2=C(C1=O)C=C(C=C2)Cl |
| InChIKey | KWNOMDPHYHUDFS-UHFFFAOYSA-N |
Chemical Property Profile of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-
Property Insights of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-. With a topological polar surface area (TPSA) of 44.7 Ų, 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- 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
What is the CAS number of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-?
The CAS number of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- is 63931-68-0.
What is the molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-?
The molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- is C9H8ClN3O.
What is the molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-?
The molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- is 209.03558 g/mol.
Where can I buy 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-?
You can request a quote for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.