![1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate structure](/static/products/6802/680213-90-5.webp)
1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate
TL;DR: 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate (CAS 680213-90-5) is a chemical compound with molecular formula C11H8ClF3N2O2 and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-yn-2-yl N-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]carbamate
Also Known As: 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate, but-3-yn-2-yl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate, 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate, 98%
| Molecular Formula | C11H8ClF3N2O2 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 3.324 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.02264 |
| Heavy Atoms | 19 |
| Complexity | 525.6521 |
Chemical Identifiers
| CAS Number | 680213-90-5 |
|---|---|
| SMILES | CC(C#C)OC(=O)NC1=CN=C(C=C1C(F)(F)F)Cl |
Product Overview
1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate (CAS 680213-90-5), with molecular formula C11H8ClF3N2O2 and molecular weight 292.02 g/mol. IUPAC: but-3-yn-2-yl N-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]carbamate.
Chemical Property Profile of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate
Property Insights of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate
The XLogP value of 3.324 indicates that 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate has 1 hydrogen bond donor(s) and 3 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 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate?
The CAS number of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate is 680213-90-5.
What is the molecular formula of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate?
The molecular formula of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate is C11H8ClF3N2O2.
What is the molecular weight of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate?
The molecular weight of 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate is 292.02 g/mol.
Where can I buy 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate?
You can request a quote for 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-methylprop-2-ynyl N-[6-chloro-4-(trifluoromethyl)pyridin-3-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.