![11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5255/525582-75-6.webp)
11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 525582-75-6) is a chemical compound with molecular formula C25H25ClN4O and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H25ClN4O |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 6.05602 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.1717 |
| Heavy Atoms | 31 |
| Complexity | 1209.5149 |
Chemical Identifiers
| CAS Number | 525582-75-6 |
|---|---|
| SMILES | CC1=NN(C(=C1C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)Cl)C5=CC=CC=C5 |
Product Overview
11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 525582-75-6), with molecular formula C25H25ClN4O and molecular weight 432.17 g/mol. IUPAC: 6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.05602 indicates that 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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. With a topological polar surface area (TPSA) of 58.95 Ų, 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 525582-75-6.
What is the molecular formula of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C25H25ClN4O.
What is the molecular weight of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 432.17 g/mol.
Where can I buy 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-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.