![3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-96-3.webp)
3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-96-3) is a chemical compound with molecular formula C38H37FN2O4 and molecular weight 604.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-5-(4-methoxybenzoyl)-6-(4-pentoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, {3-(4-fluorophenyl)-1-hydroxy-11-[4-(pentyloxy)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(4-methoxyphenyl)methanone, 3-(4-fluorophenyl)-10-(4-methoxybenzoyl)-11-(4-(pentyloxy)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-11-(4-pentyloxyphenyl)-2,3,4 -trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 9-(4-fluorophenyl)-5-(4-methoxybenzoyl)-6-(4-pentoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C38H37FN2O4 |
|---|---|
| Molecular Weight | 604.27 g/mol |
| LogP | 8.6177 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 604.27374 |
| Heavy Atoms | 45 |
| Complexity | 1697.4824 |
Chemical Identifiers
| CAS Number | 523992-96-3 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C6=CC=C(C=C6)OC |
Product Overview
3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-96-3), with molecular formula C38H37FN2O4 and molecular weight 604.27 g/mol. IUPAC: 9-(4-fluorophenyl)-5-(4-methoxybenzoyl)-6-(4-pentoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 8.6177 indicates that 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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 5 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-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-96-3.
What is the molecular formula of 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C38H37FN2O4.
What is the molecular weight of 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 604.27 g/mol.
Where can I buy 3-(4-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-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-[(4-methoxyphenyl)carbonyl]-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.