![methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate structure](/static/products/1024/1024406-69-6.webp)
methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate
TL;DR: methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate (CAS 1024406-69-6) is a chemical compound with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate
Also Known As: methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate, methyl 11-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-7-carboxylate, methyl 10-(3,4-dimethoxyphenyl)-14,14-dimethyl-12-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraene-5-carboxylate, Methyl 2,9-diaza-10-(3,4-dimethoxyphenyl)-14,14-dimethyl-12-oxotricyclo[9.4.0.0(3,8)]pentadeca-1(11),3(4),5,7-tetraene-5-carboxylate, methyl 2,9-diaza-10-(3,4-dimethoxyphenyl)-14,14-dimethyl-12-oxotricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(4),5,7-tetraene-5-carboxylate
| Molecular Formula | C25H28N2O5 |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 4.7123 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.19983 |
| Heavy Atoms | 32 |
| Complexity | 1119.3105 |
Chemical Identifiers
| CAS Number | 1024406-69-6 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C |
Product Overview
methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate (CAS 1024406-69-6), with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol. IUPAC: methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate.
Chemical Property Profile of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate
Property Insights of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate
The XLogP value of 4.7123 indicates that methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate. Following Lipinski's Rule of Five, methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-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 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate?
The CAS number of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate is 1024406-69-6.
What is the molecular formula of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate?
The molecular formula of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate is C25H28N2O5.
What is the molecular weight of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate?
The molecular weight of methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate is 436.20 g/mol.
Where can I buy methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate?
You can request a quote for methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-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 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(3,4-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.