![1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one structure](/static/products/5164/516456-10-3.webp)
1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
TL;DR: 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 516456-10-3) is a chemical compound with molecular formula C30H30FN3O2 and molecular weight 483.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-5-hexanoyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one, 1-(3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)hexan-1-one, 1-[3-(4-fluorophenyl)-1-hydroxy-11-(3-pyridyl)-2,3,4-trihydro-11H-benzo[b]benz o[1,2-e]1,4-diazepin-10-yl]hexan-1-one, 9-(4-fluorophenyl)-5-hexanoyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C30H30FN3O2 |
|---|---|
| Molecular Weight | 483.23 g/mol |
| LogP | 6.7016 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.2322 |
| Heavy Atoms | 36 |
| Complexity | 1287.0609 |
Chemical Identifiers
| CAS Number | 516456-10-3 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CN=CC=C5 |
Product Overview
1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 516456-10-3), with molecular formula C30H30FN3O2 and molecular weight 483.23 g/mol. IUPAC: 9-(4-fluorophenyl)-5-hexanoyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Property Insights of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
The XLogP value of 6.7016 indicates that 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one. Following Lipinski's Rule of Five, 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-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 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The CAS number of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 516456-10-3.
What is the molecular formula of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular formula of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is C30H30FN3O2.
What is the molecular weight of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular weight of 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 483.23 g/mol.
Where can I buy 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
You can request a quote for 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.