Retronecine, 7-(N-ethylcarbamate) 9-tiglate
TL;DR: Retronecine, 7-(N-ethylcarbamate) 9-tiglate (CAS 78472-02-3) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(ethylcarbamoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: Retronecine, 7-(N-ethylcarbamate) 9-tiglate, [(7R,8R)-7-(ethylcarbamoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 1.6248 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 498.37427 |
Chemical Identifiers
| CAS Number | 78472-02-3 |
|---|---|
| SMILES | CCNC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C/C)/C |
Product Overview
Retronecine, 7-(N-ethylcarbamate) 9-tiglate (CAS 78472-02-3), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: [(7R,8R)-7-(ethylcarbamoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Retronecine, 7-(N-ethylcarbamate) 9-tiglate
Property Insights of Retronecine, 7-(N-ethylcarbamate) 9-tiglate
The XLogP value of 1.6248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retronecine, 7-(N-ethylcarbamate) 9-tiglate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Retronecine, 7-(N-ethylcarbamate) 9-tiglate. Following Lipinski's Rule of Five, Retronecine, 7-(N-ethylcarbamate) 9-tiglate has 1 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, 7-(N-ethylcarbamate) 9-tiglate?
The CAS number of Retronecine, 7-(N-ethylcarbamate) 9-tiglate is 78472-02-3.
What is the molecular formula of Retronecine, 7-(N-ethylcarbamate) 9-tiglate?
The molecular formula of Retronecine, 7-(N-ethylcarbamate) 9-tiglate is C16H24N2O4.
What is the molecular weight of Retronecine, 7-(N-ethylcarbamate) 9-tiglate?
The molecular weight of Retronecine, 7-(N-ethylcarbamate) 9-tiglate is 308.17 g/mol.
Where can I buy Retronecine, 7-(N-ethylcarbamate) 9-tiglate?
You can request a quote for Retronecine, 7-(N-ethylcarbamate) 9-tiglate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine, 7-(N-ethylcarbamate) 9-tiglate?
Yes, KEHONG BIO provides custom synthesis services for Retronecine, 7-(N-ethylcarbamate) 9-tiglate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.