侧厚千里光碱7,9-胡椒酸二酯
TL;DR: 侧厚千里光碱7,9-胡椒酸二酯 (CAS 39818-19-4) is a chemical compound with molecular formula C24H23NO8 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
侧厚千里光碱7,9-胡椒酸二酯
[(1R,7S,8S)-7-(1,3-benzodioxole-5-carbonyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate
Also Known As: Platynecine 7,9-piperonylate diester, 1,3-Benzodioxole-5-carboxylic acid, (7-((1,3-benzodioxol-5-ylcarbonyl)oxy)hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1S-(1alpha,7alpha,7abeta))-, [(1R,7S,8S)-7-(1,3-benzodioxole-5-carbonyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate, {(1R,7S,7aS)-7-[(2H-1,3-Benzodioxole-5-carbonyl)oxy]hexahydro-1H-pyrrolizin-1-yl}methyl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C24H23NO8 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.14236 |
| Heavy Atoms | 33 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 39818-19-4 |
|---|---|
| SMILES | C1CN2CC[C@@H]([C@@H]2[C@@H]1COC(=O)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC6=C(C=C5)OCO6 |
| InChIKey | DTXIKKPANDFKRB-BPXKWBHBSA-N |
Product Overview
侧厚千里光碱7,9-胡椒酸二酯 (CAS 39818-19-4), with molecular formula C24H23NO8 and molecular weight 453.14 g/mol. IUPAC: [(1R,7S,8S)-7-(1,3-benzodioxole-5-carbonyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 侧厚千里光碱7,9-胡椒酸二酯
Property Insights of 侧厚千里光碱7,9-胡椒酸二酯
The XLogP value of 3.6 indicates that 侧厚千里光碱7,9-胡椒酸二酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 侧厚千里光碱7,9-胡椒酸二酯. Following Lipinski's Rule of Five, 侧厚千里光碱7,9-胡椒酸二酯 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 侧厚千里光碱7,9-胡椒酸二酯?
The CAS number of 侧厚千里光碱7,9-胡椒酸二酯 is 39818-19-4.
What is the molecular formula of 侧厚千里光碱7,9-胡椒酸二酯?
The molecular formula of 侧厚千里光碱7,9-胡椒酸二酯 is C24H23NO8.
What is the molecular weight of 侧厚千里光碱7,9-胡椒酸二酯?
The molecular weight of 侧厚千里光碱7,9-胡椒酸二酯 is 453.14 g/mol.
Where can I buy 侧厚千里光碱7,9-胡椒酸二酯?
You can request a quote for 侧厚千里光碱7,9-胡椒酸二酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 侧厚千里光碱7,9-胡椒酸二酯?
Yes, KEHONG BIO provides custom synthesis services for 侧厚千里光碱7,9-胡椒酸二酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.