![11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE structure](/static/products/879/879569-68-3.png)
11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
TL;DR: 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE (CAS 879569-68-3) is a chemical compound with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 11-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, Cambridge id 7114210
| Molecular Formula | C26H27N5O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 5.0701 |
| Topological Polar Surface Area | 111.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.2063 |
| Heavy Atoms | 35 |
| Complexity | 1357.2769 |
Chemical Identifiers
| CAS Number | 879569-68-3 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE (CAS 879569-68-3), with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol. IUPAC: 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
Property Insights of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
The XLogP value of 5.0701 indicates that 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-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 111.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE. Following Lipinski's Rule of Five, 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-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-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE?
The CAS number of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE is 879569-68-3.
What is the molecular formula of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE?
The molecular formula of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE is C26H27N5O4.
What is the molecular weight of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE?
The molecular weight of 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE is 473.21 g/mol.
Where can I buy 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE?
You can request a quote for 11-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-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-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-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-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3,3-DIMETHYL-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.