![11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/836/836638-99-4.png)
11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 836638-99-4) is a chemical compound with molecular formula C31H33N3O5 and molecular weight 527.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H33N3O5 |
|---|---|
| Molecular Weight | 527.24 g/mol |
| LogP | 7.02114 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.242 |
| Heavy Atoms | 39 |
| Complexity | 1490.8043 |
Chemical Identifiers
| CAS Number | 836638-99-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])OC)C(=O)CC(C3)(C)C |
Product Overview
11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 836638-99-4), with molecular formula C31H33N3O5 and molecular weight 527.24 g/mol. IUPAC: 6-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.02114 indicates that 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-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 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 836638-99-4.
What is the molecular formula of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C31H33N3O5.
What is the molecular weight of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 527.24 g/mol.
Where can I buy 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-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 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-3,3,7,8-tetramethyl-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.