![5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] structure](/static/products/5341/53413-57-3.webp)
5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]
TL;DR: 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] (CAS 53413-57-3) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,10,12(16)-pentaene-4-carbaldehyde
Also Known As: 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e], 5-Acetyl-5,11-dihydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde, 9-Acetyl-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,10,12(16)-pentaene-4-carbaldehyde
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 53413-57-3 |
|---|---|
| SMILES | CC(=O)N1CC2=CC=C(N2CC3=CC4=C(C=C31)OCO4)C=O |
| InChIKey | UMKQNLIURCUMMY-UHFFFAOYSA-N |
Product Overview
5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] (CAS 53413-57-3), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: 9-acetyl-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,10,12(16)-pentaene-4-carbaldehyde.
Chemical Property Profile of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]
Property Insights of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]. Following Lipinski's Rule of Five, 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] has 0 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 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]?
The CAS number of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] is 53413-57-3.
What is the molecular formula of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]?
The molecular formula of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] is C16H14N2O4.
What is the molecular weight of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]?
The molecular weight of 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] is 298.10 g/mol.
Where can I buy 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]?
You can request a quote for 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e]?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-5,11-dihydro-6H-[1,3]dioxolo[4',5':4,5]benzo[1,2-e] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.