[3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih
TL;DR: [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih (CAS 79787-24-9) is a chemical compound with molecular formula C19H21F2N3O4 and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
Also Known As: [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih|[3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate|1H-Pyrrolizine-6, 5-(2,5-difluorophenyl)-2,3-dihydro-, bis(methylcarbamate) (ester)|[5-(2,5-Difluorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(methylcarbamate)
| Molecular Formula | C19H21F2N3O4 |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.15002 |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 79787-24-9 |
|---|---|
| SMILES | CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C3=C(C=CC(=C3)F)F |
| InChIKey | MPFONVOURPXLGT-UHFFFAOYSA-N |
Product Overview
[3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih (CAS 79787-24-9), with molecular formula C19H21F2N3O4 and molecular weight 393.15 g/mol. IUPAC: [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate.
Chemical Property Profile of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih
Property Insights of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih. Following Lipinski's Rule of Five, [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih has 2 hydrogen bond donor(s) and 6 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 [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih?
The CAS number of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih is 79787-24-9.
What is the molecular formula of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih?
The molecular formula of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih is C19H21F2N3O4.
What is the molecular weight of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih?
The molecular weight of [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih is 393.15 g/mol.
Where can I buy [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih?
You can request a quote for [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih?
Yes, KEHONG BIO provides custom synthesis services for [3-(2,5-difluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dih and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.