![methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate structure](/static/products/100/1005240-60-7.webp)
methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
TL;DR: methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005240-60-7) is a chemical compound with molecular formula C25H27BrN2O5 and molecular weight 514.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-(3-bromo-5-ethoxy-4-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl (6R,8S,9S)-6-(3-bromo-5-ethoxy-4-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate, methyl 6-(3-bromo-5-ethoxy-4-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Technical Specifications
| Molecular Formula | C25H27BrN2O5 |
| Molecular Weight | 514.11035 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.11035 Da |
| Heavy Atoms | 33 |
| Complexity | 774.0 |
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC4=CC=CC=C4N2)Br)OC |
| InChIKey | MVMJZIUPTJWKTH-UHFFFAOYSA-N |
Chemical Property Profile of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Property Insights of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
The XLogP value of 5.0 indicates that methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate. Following Lipinski's Rule of Five, methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The CAS number of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 1005240-60-7.
What is the molecular formula of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular formula of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is C25H27BrN2O5.
What is the molecular weight of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular weight of methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 514.11035 g/mol.
Where can I buy methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
You can request a quote for methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.