Retronecine, bis(3-methylcrotonate) (ester)
TL;DR: Retronecine, bis(3-methylcrotonate) (ester) (CAS 30765-56-1) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
Also Known As: 7,9-Disenecioylretronecine, Retronecine, bis(3-methylcrotonate) (ester), KST-1A3649, Retronecine,bis(3-methylcrotonate) (ester), (1r,7ar)-7-{[(3-methylbut-2-enoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 30765-56-1 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)C |
| InChIKey | HYBMOCMONQPISM-CRAIPNDOSA-N |
Product Overview
Retronecine, bis(3-methylcrotonate) (ester) (CAS 30765-56-1), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: [(7R,8R)-7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate.
Chemical Property Profile of Retronecine, bis(3-methylcrotonate) (ester)
Property Insights of Retronecine, bis(3-methylcrotonate) (ester)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retronecine, bis(3-methylcrotonate) (ester). With a topological polar surface area (TPSA) of 55.8 Ų, Retronecine, bis(3-methylcrotonate) (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Retronecine, bis(3-methylcrotonate) (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, bis(3-methylcrotonate) (ester)?
The CAS number of Retronecine, bis(3-methylcrotonate) (ester) is 30765-56-1.
What is the molecular formula of Retronecine, bis(3-methylcrotonate) (ester)?
The molecular formula of Retronecine, bis(3-methylcrotonate) (ester) is C18H25NO4.
What is the molecular weight of Retronecine, bis(3-methylcrotonate) (ester)?
The molecular weight of Retronecine, bis(3-methylcrotonate) (ester) is 319.18 g/mol.
Where can I buy Retronecine, bis(3-methylcrotonate) (ester)?
You can request a quote for Retronecine, bis(3-methylcrotonate) (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine, bis(3-methylcrotonate) (ester)?
Yes, KEHONG BIO provides custom synthesis services for Retronecine, bis(3-methylcrotonate) (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.