![3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/4040/404026-68-2.webp)
3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 404026-68-2) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 2-benzoyl-9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 7-benzoyl-3,3-dimethyl-11-(2-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 7-BENZOYL-3,3-DIMETHYL-11-(2-PYRIDYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C27H25N3O2 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 5.5345 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.19467 |
| Heavy Atoms | 32 |
| Complexity | 1230.271 |
Chemical Identifiers
| CAS Number | 404026-68-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=N5)C(=O)C1)C |
Product Overview
3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 404026-68-2), with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol. IUPAC: 2-benzoyl-9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 5.5345 indicates that 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-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 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 2 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 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 404026-68-2.
What is the molecular formula of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C27H25N3O2.
What is the molecular weight of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 423.19 g/mol.
Where can I buy 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-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 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-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.