![11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/669/669751-66-0.png)
11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 669751-66-0) is a chemical compound with molecular formula C36H30Cl2N4O2 and molecular weight 620.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-benzoyl-1H-benzimidazol-2-yl)methyl]-6-(3,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)benzimidazol-2-yl] methyl}-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 5-[(6-benzoyl-1H-benzimidazol-2-yl)methyl]-6-(3,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C36H30Cl2N4O2 |
|---|---|
| Molecular Weight | 620.17 g/mol |
| LogP | 8.9173 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 620.17456 |
| Heavy Atoms | 44 |
| Complexity | 1979.0894 |
Chemical Identifiers
| CAS Number | 669751-66-0 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6)C7=CC(=C(C=C7)Cl)Cl)C(=O)C1)C |
Product Overview
11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 669751-66-0), with molecular formula C36H30Cl2N4O2 and molecular weight 620.17 g/mol. IUPAC: 5-[(6-benzoyl-1H-benzimidazol-2-yl)methyl]-6-(3,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 8.9173 indicates that 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-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 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-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 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 669751-66-0.
What is the molecular formula of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C36H30Cl2N4O2.
What is the molecular weight of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 620.17 g/mol.
Where can I buy 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-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-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-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-(3,4-dichlorophenyl)-3,3-dimethyl-10-{[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]methyl}-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.