![methyl 11-(3-bromo-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/1005/1005036-47-4.webp)
methyl 11-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005036-47-4) is a chemical compound with molecular formula C23H23BrN2O4 and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 11-(3-bromo-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4-trihydro-5H,10H,11H-b enzo[b]benzo[3,4-f]1,4-diazepine-2-carboxylate, methyl 6-(3-bromo-4-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C23H23BrN2O4 |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 4.6886 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.0841 |
| Heavy Atoms | 30 |
| Complexity | 1049.2487 |
Chemical Identifiers
| CAS Number | 1005036-47-4 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)Br)C(=O)C1C(=O)OC |
Product Overview
methyl 11-(3-bromo-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005036-47-4), with molecular formula C23H23BrN2O4 and molecular weight 470.08 g/mol. IUPAC: methyl 6-(3-bromo-4-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of methyl 11-(3-bromo-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-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 4.6886 indicates that methyl 11-(3-bromo-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 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 11-(3-bromo-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-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 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 11-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 1005036-47-4.
What is the molecular formula of methyl 11-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is C23H23BrN2O4.
What is the molecular weight of methyl 11-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 470.08 g/mol.
Where can I buy methyl 11-(3-bromo-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-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 11-(3-bromo-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 11-(3-bromo-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.