Retronecine cinnamate ester
TL;DR: Retronecine cinnamate ester (CAS 39818-09-2) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate
Also Known As: Retronecine cinnamate ester, 2-Propanoic acid, 3-phenyl-, 2,3,5,7a-tetrahydro-7-(((1-oxo-3-phenyl-2-propenyl)oxy)methyl)-1H-pyrrolizin-1-yl ester, (1R-trans)-, (1R,7aR)-7-({[(2E)-3-Phenylprop-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-3-phenylprop-2-enoate, [(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate
| Molecular Formula | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 3.8825 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 994.5817 |
Chemical Identifiers
| CAS Number | 39818-09-2 |
|---|---|
| SMILES | C1CN2CC=C([C@@H]2[C@@H]1OC(=O)/C=C/C3=CC=CC=C3)COC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
Retronecine cinnamate ester (CAS 39818-09-2), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: [(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Retronecine cinnamate ester
Property Insights of Retronecine cinnamate ester
The XLogP value of 3.8825 indicates that Retronecine cinnamate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Retronecine cinnamate ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Retronecine cinnamate ester has 0 hydrogen bond donor(s) and 5 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 cinnamate ester?
The CAS number of Retronecine cinnamate ester is 39818-09-2.
What is the molecular formula of Retronecine cinnamate ester?
The molecular formula of Retronecine cinnamate ester is C26H25NO4.
What is the molecular weight of Retronecine cinnamate ester?
The molecular weight of Retronecine cinnamate ester is 415.18 g/mol.
Where can I buy Retronecine cinnamate ester?
You can request a quote for Retronecine cinnamate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine cinnamate ester?
Yes, KEHONG BIO provides custom synthesis services for Retronecine cinnamate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.