![methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate structure](/static/products/1005/1005108-35-9.webp)
methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
TL;DR: methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005108-35-9) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-methyl-6-(4-nitrophenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, A3161/0133721, methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4-trihydro-5H,10H,11H-benzo[b]ben zo[3,4-f]1,4-diazepine-2-carboxylate, methyl 9-methyl-6-(4-nitrophenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 3.8257 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1060.6976 |
Chemical Identifiers
| CAS Number | 1005108-35-9 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1C(=O)OC |
Product Overview
methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005108-35-9), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: methyl 9-methyl-6-(4-nitrophenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Property Insights of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
The XLogP value of 3.8257 indicates that methyl 3-methyl-11-(4-nitrophenyl)-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 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-methyl-11-(4-nitrophenyl)-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 3-methyl-11-(4-nitrophenyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The CAS number of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 1005108-35-9.
What is the molecular formula of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular formula of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is C22H21N3O5.
What is the molecular weight of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular weight of methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 407.15 g/mol.
Where can I buy methyl 3-methyl-11-(4-nitrophenyl)-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 3-methyl-11-(4-nitrophenyl)-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 3-methyl-11-(4-nitrophenyl)-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 3-methyl-11-(4-nitrophenyl)-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.