![1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one structure](/static/products/5239/523992-53-2.webp)
1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
TL;DR: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 523992-53-2) is a chemical compound with molecular formula C36H42N2O2 and molecular weight 534.32 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-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-tert-butylphenyl)-10-hexanoyl-11-(4-methylphenyl)-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-METHYLPHENYL)-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-methylphenyl)-2,3,4-trihydro-5H,11H -benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C36H42N2O2 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 8.77342 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.32465 |
| Heavy Atoms | 40 |
| Complexity | 1410.4022 |
Chemical Identifiers
| CAS Number | 523992-53-2 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=C(C=C5)C |
Product Overview
1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 523992-53-2), with molecular formula C36H42N2O2 and molecular weight 534.32 g/mol. IUPAC: 9-(4-tert-butylphenyl)-5-hexanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Property Insights of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
The XLogP value of 8.77342 indicates that 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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. With a topological polar surface area (TPSA) of 49.41 Ų, 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one has 1 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 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The CAS number of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 523992-53-2.
What is the molecular formula of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular formula of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is C36H42N2O2.
What is the molecular weight of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular weight of 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 534.32 g/mol.
Where can I buy 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-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.