3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- (CAS 35142-71-3) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-8-propanoyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
Also Known As: Aristolic acid methyl ester, 5-24-07-00250 (Beilstein Handbook Reference), 3-phenyl-8-propanoyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione, 3-Phenyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane-2,4-dione, 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 35142-71-3 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1C(=O)N(C2=O)C3=CC=CC=C3 |
| InChIKey | JBSDYSSKUBAYBU-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- (CAS 35142-71-3), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 3-phenyl-8-propanoyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-. With a topological polar surface area (TPSA) of 57.7 Ų, 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- has 0 hydrogen bond donor(s) and 3 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 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- is 35142-71-3.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- is C15H16N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- is 272.12 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 3-phenyl-8-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.