Retronecine 9-(N-ethylcarbamate)
TL;DR: Retronecine 9-(N-ethylcarbamate) (CAS 78472-04-5) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl N-ethylcarbamate
Also Known As: Retronecine 9-(N-ethylcarbamate), [(1r,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl ethylcarbamate, [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl N-ethylcarbamate, [(7R,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl N-ethylcarbamate
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 78472-04-5 |
|---|---|
| SMILES | CCNC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O |
| InChIKey | YQDTUYLCYVRLPO-NXEZZACHSA-N |
Product Overview
Retronecine 9-(N-ethylcarbamate) (CAS 78472-04-5), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl N-ethylcarbamate.
Chemical Property Profile of Retronecine 9-(N-ethylcarbamate)
Property Insights of Retronecine 9-(N-ethylcarbamate)
The XLogP value of -0.5 indicates that Retronecine 9-(N-ethylcarbamate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Retronecine 9-(N-ethylcarbamate). Following Lipinski's Rule of Five, Retronecine 9-(N-ethylcarbamate) has 2 hydrogen bond donor(s) and 4 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 9-(N-ethylcarbamate)?
The CAS number of Retronecine 9-(N-ethylcarbamate) is 78472-04-5.
What is the molecular formula of Retronecine 9-(N-ethylcarbamate)?
The molecular formula of Retronecine 9-(N-ethylcarbamate) is C11H18N2O3.
What is the molecular weight of Retronecine 9-(N-ethylcarbamate)?
The molecular weight of Retronecine 9-(N-ethylcarbamate) is 226.13 g/mol.
Where can I buy Retronecine 9-(N-ethylcarbamate)?
You can request a quote for Retronecine 9-(N-ethylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine 9-(N-ethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Retronecine 9-(N-ethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.