6E-511
TL;DR: 6E-511 (CAS 400084-67-5) is a chemical compound with molecular formula C17H12F2N2O5 and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl N-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinyl]carbamate
Also Known As: 6E-511, 2-propynyl N-{1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinyl}carbamate, prop-2-ynyl N-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridin-3-yl]carbamate, Prop-2-yn-1-yl (1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate, prop-2-yn-1-yl N-{1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate
| Molecular Formula | C17H12F2N2O5 |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 2.3998 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.07144 |
| Heavy Atoms | 26 |
| Complexity | 948.8999 |
Chemical Identifiers
| CAS Number | 400084-67-5 |
|---|---|
| SMILES | C#CCOC(=O)NC1=CC=CN(C1=O)CC2=CC3=C(C=C2)OC(O3)(F)F |
Product Overview
6E-511 (CAS 400084-67-5), with molecular formula C17H12F2N2O5 and molecular weight 362.07 g/mol. IUPAC: prop-2-ynyl N-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinyl]carbamate.
Chemical Property Profile of 6E-511
Property Insights of 6E-511
The XLogP value of 2.3998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6E-511. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-511. Following Lipinski's Rule of Five, 6E-511 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 6E-511?
The CAS number of 6E-511 is 400084-67-5.
What is the molecular formula of 6E-511?
The molecular formula of 6E-511 is C17H12F2N2O5.
What is the molecular weight of 6E-511?
The molecular weight of 6E-511 is 362.07 g/mol.
Where can I buy 6E-511?
You can request a quote for 6E-511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-511?
Yes, KEHONG BIO provides custom synthesis services for 6E-511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.