5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-
TL;DR: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- (CAS 63931-70-4) is a chemical compound with molecular formula C10H10ClN3O and molecular weight 223.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-ethyl-1H-1,2,4-benzotriazepin-5-one
Also Known As: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-, 5-26-04-00345 (Beilstein Handbook Reference), 7-chloro-4-ethyl-1,4-dihydro-5h-1,2,4-benzotriazepin-5-one, 7-chloro-4-ethyl-1H-1,2,4-benzotriazepin-5-one, 1,4-Dihydro-7-chloro-4-ethyl-5H-1,2,4-benzotriazepin-5-one
Technical Specifications
| Molecular Formula | C10H10ClN3O |
| Molecular Weight | 223.05124 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.05124 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | CCN1C=NNC2=C(C1=O)C=C(C=C2)Cl |
| InChIKey | IBXXTRWAZITIFF-UHFFFAOYSA-N |
Chemical Property Profile of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-
Property Insights of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-. With a topological polar surface area (TPSA) of 44.7 Ų, 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- 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-ethyl- 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-ethyl-?
The CAS number of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- is 63931-70-4.
What is the molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-?
The molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- is C10H10ClN3O.
What is the molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-?
The molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- is 223.05124 g/mol.
Where can I buy 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl-?
You can request a quote for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- 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-ethyl-?
Yes, CoreyChem provides custom synthesis services for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.