4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
TL;DR: 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866157-53-1) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1,3-dihydro-1,3,4-benzotriazepine-2,5-dione
Also Known As: 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione, 4-tert-butyl-1,3-dihydro-1,3,4-benzotriazepine-2,5-dione, 4-tert-butyl-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 1.9774 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 476.88425 |
Chemical Identifiers
| CAS Number | 866157-53-1 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1 |
Product Overview
4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866157-53-1), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 4-tert-butyl-1,3-dihydro-1,3,4-benzotriazepine-2,5-dione.
Chemical Property Profile of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Property Insights of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
The XLogP value of 1.9774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione. Following Lipinski's Rule of Five, 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione 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
Frequently Asked Questions
What is the CAS number of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The CAS number of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 866157-53-1.
What is the molecular formula of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular formula of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is C12H15N3O2.
What is the molecular weight of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular weight of 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 233.12 g/mol.
Where can I buy 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
You can request a quote for 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 4-(tert-butyl)-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 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.