![1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone structure](/static/products/442/442570-17-4.png)
1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
TL;DR: 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 442570-17-4) is a chemical compound with molecular formula C33H36N2O4 and molecular weight 524.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-3-(4-(tert-butyl)phenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-ACETYL-3-[4-(TERT-BUTYL)PHENYL]-11-(3,4-DIMETHOXYPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 5-acetyl-9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C33H36N2O4 |
|---|---|
| Molecular Weight | 524.27 g/mol |
| LogP | 6.9218 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.2675 |
| Heavy Atoms | 39 |
| Complexity | 1449.2709 |
Chemical Identifiers
| CAS Number | 442570-17-4 |
|---|---|
| SMILES | CC(=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)OC)OC |
Product Overview
1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 442570-17-4), with molecular formula C33H36N2O4 and molecular weight 524.27 g/mol. IUPAC: 5-acetyl-9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Property Insights of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
The XLogP value of 6.9218 indicates that 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone 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 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone. Following Lipinski's Rule of Five, 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone 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 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The CAS number of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 442570-17-4.
What is the molecular formula of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular formula of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is C33H36N2O4.
What is the molecular weight of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular weight of 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 524.27 g/mol.
Where can I buy 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
You can request a quote for 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone 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)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.