![3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-94-1.webp)
3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-94-1) is a chemical compound with molecular formula C34H37FN2O3 and molecular weight 540.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-5-(2-methylpropanoyl)-6-(4-pentoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(pentyloxy)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-methylpropan-1-one, 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-(4-pentyloxyphenyl)-2,3,4-trihydr o-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 3-(4-fluorophenyl)-10-isobutyryl-11-(4-(pentyloxy)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-FLUOROPHENYL)-10-ISOBUTYRYL-11-[4-(PENTYLOXY)PHENYL]-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C34H37FN2O3 |
|---|---|
| Molecular Weight | 540.28 g/mol |
| LogP | 7.9513 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.2788 |
| Heavy Atoms | 40 |
| Complexity | 1395.4441 |
Chemical Identifiers
| CAS Number | 523992-94-1 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C(C)C |
Product Overview
3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-94-1), with molecular formula C34H37FN2O3 and molecular weight 540.28 g/mol. IUPAC: 9-(4-fluorophenyl)-5-(2-methylpropanoyl)-6-(4-pentoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.9513 indicates that 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-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. With a topological polar surface area (TPSA) of 58.64 Ų, 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 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 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-94-1.
What is the molecular formula of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C34H37FN2O3.
What is the molecular weight of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 540.28 g/mol.
Where can I buy 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-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 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-10-(2-methylpropanoyl)-11-[4-(pentyloxy)phenyl]-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.