![methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate structure](/static/products/442/442570-52-7.png)
methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
TL;DR: methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 442570-52-7) is a chemical compound with molecular formula C32H26N2O5 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-benzoyl-9-(furan-2-yl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[10-benzoyl-3-(2-furyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[3-(2-furyl)-1-hydroxy-10-(phenylcarbonyl)-2,3,4-trihydro-11H-benzo[b ]benzo[1,2-e]1,4-diazepin-11-yl]benzoate, methyl 4-[3-(furan-2-yl)-1-hydroxy-10-(phenylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[5-benzoyl-9-(furan-2-yl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C32H26N2O5 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 6.2806 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.18414 |
| Heavy Atoms | 39 |
| Complexity | 1572.5704 |
Chemical Identifiers
| CAS Number | 442570-52-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CO4)NC5=CC=CC=C5N2C(=O)C6=CC=CC=C6 |
Product Overview
methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 442570-52-7), with molecular formula C32H26N2O5 and molecular weight 518.18 g/mol. IUPAC: methyl 4-[5-benzoyl-9-(furan-2-yl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Property Insights of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
The XLogP value of 6.2806 indicates that methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate 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 methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The CAS number of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 442570-52-7.
What is the molecular formula of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular formula of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is C32H26N2O5.
What is the molecular weight of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular weight of methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 518.18 g/mol.
Where can I buy methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
You can request a quote for methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(10-benzoyl-3-(furan-2-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.