![3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-69-0.webp)
3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-69-0) is a chemical compound with molecular formula C34H39N3O2 and molecular weight 521.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-tert-butylphenyl)-5-hexanoyl-6-pyridin-4-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(pyridin-4-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one, 3-(4-(tert-butyl)phenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-[4-(TERT-BUTYL)PHENYL]-10-HEXANOYL-11-(4-PYRIDYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 3-[4-(tert-butyl)phenyl]-10-hexanoyl-11-(4-pyridyl)-2,3,4-trihydro-5H,11H-benz o[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C34H39N3O2 |
|---|---|
| Molecular Weight | 521.30 g/mol |
| LogP | 7.86 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.3042 |
| Heavy Atoms | 39 |
| Complexity | 1369.5542 |
Chemical Identifiers
| CAS Number | 523992-69-0 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=NC=C5 |
Product Overview
3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-69-0), with molecular formula C34H39N3O2 and molecular weight 521.30 g/mol. IUPAC: 9-(4-tert-butylphenyl)-5-hexanoyl-6-pyridin-4-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.86 indicates that 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-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 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-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-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-69-0.
What is the molecular formula of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C34H39N3O2.
What is the molecular weight of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 521.30 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3-(4-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-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-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-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-tert-butylphenyl)-10-hexanoyl-11-(pyridin-4-yl)-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.