[2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr
TL;DR: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr (CAS 62522-78-5) is a chemical compound with molecular formula C14H18F3N3O4 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
Also Known As: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr|[2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate|[5-(Trifluoromethyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(methylcarbamate)
| Molecular Formula | C14H18F3N3O4 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.12494 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 62522-78-5 |
|---|---|
| SMILES | CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C(F)(F)F |
| InChIKey | COEAWFNZRAUWRR-UHFFFAOYSA-N |
Product Overview
[2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr (CAS 62522-78-5), with molecular formula C14H18F3N3O4 and molecular weight 349.12 g/mol. IUPAC: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate.
Chemical Property Profile of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr
Property Insights of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr. Following Lipinski's Rule of Five, [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr has 2 hydrogen bond donor(s) and 7 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 [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr?
The CAS number of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr is 62522-78-5.
What is the molecular formula of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr?
The molecular formula of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr is C14H18F3N3O4.
What is the molecular weight of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr?
The molecular weight of [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr is 349.12 g/mol.
Where can I buy [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr?
You can request a quote for [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr?
Yes, KEHONG BIO provides custom synthesis services for [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.