3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
TL;DR: 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866157-55-3) is a chemical compound with molecular formula C19H20BrN3O2 and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-4-tert-butyl-1H-1,3,4-benzotriazepine-2,5-dione
Also Known As: 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione, 3-[(4-bromophenyl)methyl]-4-tert-butyl-1H-1,3,4-benzotriazepine-2,5-dione, 3-[(4-bromophenyl)methyl]-4-tert-butyl-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione
| Molecular Formula | C19H20BrN3O2 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 4.6525 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.07388 |
| Heavy Atoms | 25 |
| Complexity | 812.16406 |
Chemical Identifiers
| CAS Number | 866157-55-3 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC3=CC=C(C=C3)Br |
Product Overview
3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866157-55-3), with molecular formula C19H20BrN3O2 and molecular weight 401.07 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-4-tert-butyl-1H-1,3,4-benzotriazepine-2,5-dione.
Chemical Property Profile of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Property Insights of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
The XLogP value of 4.6525 indicates that 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-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 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The CAS number of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 866157-55-3.
What is the molecular formula of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular formula of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is C19H20BrN3O2.
What is the molecular weight of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular weight of 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 401.07 g/mol.
Where can I buy 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
You can request a quote for 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-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 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromobenzyl)-4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.