1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-
TL;DR: 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- (CAS 18852-18-1) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Also Known As: 3-Benzyl-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione, 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-, 3-benzyl-1,4-dihydro-1,3,4-benzotriazepine-2,5-dione, 3-Benzyl-1H-1,3,4-benzotriazepine-2,5(3H,4H)-dione, 3-benzyl-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione
Technical Specifications
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.10077 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.10077 Da |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)NC3=CC=CC=C3C(=O)N2 |
| InChIKey | NMOGZPSLOZNTTK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-
Property Insights of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-. Following Lipinski's Rule of Five, 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-?
The CAS number of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- is 18852-18-1.
What is the molecular formula of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-?
The molecular formula of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- is C15H13N3O2.
What is the molecular weight of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-?
The molecular weight of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- is 267.10077 g/mol.
Where can I buy 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-?
You can request a quote for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-?
Yes, CoreyChem provides custom synthesis services for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.