![11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-98-5.webp)
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-98-5) is a chemical compound with molecular formula C33H37FN2O2 and molecular weight 512.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-ditert-butyl-4-hydroxyphenyl)-9-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 11-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-3-(4-fluorophenyl)-2,3,4-trihydro-5H, 10H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 11-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]-3-(4-FLUOROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 6-(3,5-ditert-butyl-4-hydroxyphenyl)-9-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C33H37FN2O2 |
|---|---|
| Molecular Weight | 512.28 g/mol |
| LogP | 8.1058 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 512.28394 |
| Heavy Atoms | 38 |
| Complexity | 1389.5791 |
Chemical Identifiers
| CAS Number | 523992-98-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2 |
Product Overview
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-98-5), with molecular formula C33H37FN2O2 and molecular weight 512.28 g/mol. IUPAC: 6-(3,5-ditert-butyl-4-hydroxyphenyl)-9-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 8.1058 indicates that 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-98-5.
What is the molecular formula of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C33H37FN2O2.
What is the molecular weight of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 512.28 g/mol.
Where can I buy 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.