![3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol structure](/static/products/497/497941-27-2.png)
3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
TL;DR: 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol (CAS 497941-27-2) is a chemical compound with molecular formula C29H29FN2O and molecular weight 440.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 3-(4-(tert-butyl)phenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H29FN2O |
|---|---|
| Molecular Weight | 440.23 g/mol |
| LogP | 7.1027 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.22638 |
| Heavy Atoms | 33 |
| Complexity | 1219.7268 |
Chemical Identifiers
| CAS Number | 497941-27-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)F)C(=O)C2 |
Product Overview
3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol (CAS 497941-27-2), with molecular formula C29H29FN2O and molecular weight 440.23 g/mol. IUPAC: 9-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Property Insights of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
The XLogP value of 7.1027 indicates that 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol?
The CAS number of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol is 497941-27-2.
What is the molecular formula of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol?
The molecular formula of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol is C29H29FN2O.
What is the molecular weight of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol?
The molecular weight of 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol is 440.23 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol?
You can request a quote for 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.