Retronecine-7,9-piperonylate
TL;DR: Retronecine-7,9-piperonylate (CAS 39818-13-8) is a chemical compound with molecular formula C24H21NO8 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(1,3-benzodioxole-5-carbonyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate
Also Known As: Retronecine-7,9-piperonylate, 1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-, [(7R,8R)-7-(1,3-benzodioxole-5-carbonyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate, (1R,7aR)-7-{[(2H-1,3-Benzodioxole-5-carbonyl)oxy]methyl}-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C24H21NO8 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1267 |
| Heavy Atoms | 33 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 39818-13-8 |
|---|---|
| SMILES | C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)OCO6 |
| InChIKey | ABWRNWMKRARKOX-DENIHFKCSA-N |
Product Overview
Retronecine-7,9-piperonylate (CAS 39818-13-8), with molecular formula C24H21NO8 and molecular weight 451.13 g/mol. IUPAC: [(7R,8R)-7-(1,3-benzodioxole-5-carbonyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Retronecine-7,9-piperonylate
Property Insights of Retronecine-7,9-piperonylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retronecine-7,9-piperonylate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Retronecine-7,9-piperonylate. Following Lipinski's Rule of Five, Retronecine-7,9-piperonylate has 0 hydrogen bond donor(s) and 9 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 Retronecine-7,9-piperonylate?
The CAS number of Retronecine-7,9-piperonylate is 39818-13-8.
What is the molecular formula of Retronecine-7,9-piperonylate?
The molecular formula of Retronecine-7,9-piperonylate is C24H21NO8.
What is the molecular weight of Retronecine-7,9-piperonylate?
The molecular weight of Retronecine-7,9-piperonylate is 451.13 g/mol.
Where can I buy Retronecine-7,9-piperonylate?
You can request a quote for Retronecine-7,9-piperonylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine-7,9-piperonylate?
Yes, KEHONG BIO provides custom synthesis services for Retronecine-7,9-piperonylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.