Retronecine 7-(N-ethylcarbamate) 9-methyl ether
TL;DR: Retronecine 7-(N-ethylcarbamate) 9-methyl ether (CAS 78472-03-4) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate
Also Known As: Retronecine 7-(N-ethylcarbamate) 9-methyl ether, (1r,7ar)-7-(methoxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl ethylcarbamate, [(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate, [(1R,8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate, 7-(Methoxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl hydrogen ethylcarbonimidate
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 78472-03-4 |
|---|---|
| SMILES | CCNC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC |
| InChIKey | YSEQQTYXFLNJMC-GHMZBOCLSA-N |
Product Overview
Retronecine 7-(N-ethylcarbamate) 9-methyl ether (CAS 78472-03-4), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: [(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate.
Chemical Property Profile of Retronecine 7-(N-ethylcarbamate) 9-methyl ether
Property Insights of Retronecine 7-(N-ethylcarbamate) 9-methyl ether
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retronecine 7-(N-ethylcarbamate) 9-methyl ether. With a topological polar surface area (TPSA) of 50.8 Ų, Retronecine 7-(N-ethylcarbamate) 9-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Retronecine 7-(N-ethylcarbamate) 9-methyl ether has 1 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 7-(N-ethylcarbamate) 9-methyl ether?
The CAS number of Retronecine 7-(N-ethylcarbamate) 9-methyl ether is 78472-03-4.
What is the molecular formula of Retronecine 7-(N-ethylcarbamate) 9-methyl ether?
The molecular formula of Retronecine 7-(N-ethylcarbamate) 9-methyl ether is C12H20N2O3.
What is the molecular weight of Retronecine 7-(N-ethylcarbamate) 9-methyl ether?
The molecular weight of Retronecine 7-(N-ethylcarbamate) 9-methyl ether is 240.15 g/mol.
Where can I buy Retronecine 7-(N-ethylcarbamate) 9-methyl ether?
You can request a quote for Retronecine 7-(N-ethylcarbamate) 9-methyl ether 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-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Retronecine 7-(N-ethylcarbamate) 9-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.