![11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/3753/375354-76-0.webp)
11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 375354-76-0) is a chemical compound with molecular formula C31H31BrN2O5 and molecular weight 590.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromophenyl)-9,9-dimethyl-5-(3,4,5-trimethoxybenzoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, A2575/0109861, 6-(3-bromophenyl)-9,9-dimethyl-5-(3,4,5-trimethoxybenzoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, [11-(3-bromophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C31H31BrN2O5 |
|---|---|
| Molecular Weight | 590.14 g/mol |
| LogP | 6.9317 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 590.1416 |
| Heavy Atoms | 39 |
| Complexity | 1470.7947 |
Chemical Identifiers
| CAS Number | 375354-76-0 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=CC=C5)Br)C(=O)C1)C |
Product Overview
11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 375354-76-0), with molecular formula C31H31BrN2O5 and molecular weight 590.14 g/mol. IUPAC: 6-(3-bromophenyl)-9,9-dimethyl-5-(3,4,5-trimethoxybenzoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.9317 indicates that 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 6 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-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 375354-76-0.
What is the molecular formula of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C31H31BrN2O5.
What is the molecular weight of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 590.14 g/mol.
Where can I buy 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(3-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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-bromophenyl)-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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.