Platynecine-7,9-senecioate
TL;DR: Platynecine-7,9-senecioate (CAS 39818-40-1) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,7R,8R)-7-(3-methylbut-2-enoyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
Also Known As: Platynecine-7,9-senecioate, 7,9-Disenecioylplatynecine, Platynecine 7,9-bis(senecioate), 1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, bis(3-methylcrotonate), 2-Butenoic acid, 3-methyl-, hexahydro-7-(((3-methyl-1-oxo-2-butenyl)oxy)methyl)-1H-pyrrolizin-1-yl ester, (1R-(1-alpha,7-alpha,7a-beta))-
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 39818-40-1 |
|---|---|
| SMILES | CC(=CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)C |
| InChIKey | CUJDQFVONFREPO-IIDMSEBBSA-N |
Product Overview
Platynecine-7,9-senecioate (CAS 39818-40-1), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: [(1S,7R,8R)-7-(3-methylbut-2-enoyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate.
Chemical Property Profile of Platynecine-7,9-senecioate
Property Insights of Platynecine-7,9-senecioate
The XLogP value of 3.6 indicates that Platynecine-7,9-senecioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Platynecine-7,9-senecioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Platynecine-7,9-senecioate 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 Platynecine-7,9-senecioate?
The CAS number of Platynecine-7,9-senecioate is 39818-40-1.
What is the molecular formula of Platynecine-7,9-senecioate?
The molecular formula of Platynecine-7,9-senecioate is C18H27NO4.
What is the molecular weight of Platynecine-7,9-senecioate?
The molecular weight of Platynecine-7,9-senecioate is 321.19 g/mol.
Where can I buy Platynecine-7,9-senecioate?
You can request a quote for Platynecine-7,9-senecioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Platynecine-7,9-senecioate?
Yes, KEHONG BIO provides custom synthesis services for Platynecine-7,9-senecioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.