![10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one structure](/static/products/4188/418804-32-7.webp)
10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one
TL;DR: 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one (CAS 418804-32-7) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(furan-2-yl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one, 10-acetyl-11-(furan-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[11-(furan-2-yl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-11-(2-furyl)-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[ 2,1-f]1,4-diazepine, 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one #
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 418804-32-7 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CO4 |
| InChIKey | ABVZXJOLTMVWMG-UHFFFAOYSA-N |
Product Overview
10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one (CAS 418804-32-7), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: 5-acetyl-6-(furan-2-yl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one
Property Insights of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 4 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 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one?
The CAS number of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one is 418804-32-7.
What is the molecular formula of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one?
The molecular formula of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one is C21H22N2O3.
What is the molecular weight of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one?
The molecular weight of 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one is 350.16 g/mol.
Where can I buy 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one?
You can request a quote for 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 10-Acetyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.