![3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate structure](/static/products/6469/646989-49-3.webp)
3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate
TL;DR: 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate (CAS 646989-49-3) is a chemical compound with molecular formula C14H6Cl3F6NO2 and molecular weight 438.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichloroethenyl)carbamate
Also Known As: 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichloroethenyl)carbamate, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-yl N-(trichloroethenyl)carbamate, 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate, 98%
| Molecular Formula | C14H6Cl3F6NO2 |
|---|---|
| Molecular Weight | 438.94 g/mol |
| LogP | 5.6449 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.93683 |
| Heavy Atoms | 26 |
| Complexity | 741.3526 |
Chemical Identifiers
| CAS Number | 646989-49-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#CCOC(=O)NC(=C(Cl)Cl)Cl |
Product Overview
3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate (CAS 646989-49-3), with molecular formula C14H6Cl3F6NO2 and molecular weight 438.94 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichloroethenyl)carbamate.
Chemical Property Profile of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate
Property Insights of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate
The XLogP value of 5.6449 indicates that 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate?
The CAS number of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate is 646989-49-3.
What is the molecular formula of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate?
The molecular formula of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate is C14H6Cl3F6NO2.
What is the molecular weight of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate?
The molecular weight of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate is 438.94 g/mol.
Where can I buy 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate?
You can request a quote for 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.