![3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate structure](/static/products/6805/680579-65-1.webp)
3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate
TL;DR: 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate (CAS 680579-65-1) is a chemical compound with molecular formula C13H7ClF6O2 and molecular weight 344.00 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 2-chloroacetate
Also Known As: 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-yl 2-chloroacetate, 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate, 98%
| Molecular Formula | C13H7ClF6O2 |
|---|---|
| Molecular Weight | 344.00 g/mol |
| LogP | 3.8577 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.00388 |
| Heavy Atoms | 22 |
| Complexity | 577.4222 |
Chemical Identifiers
| CAS Number | 680579-65-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#CCOC(=O)CCl |
Product Overview
3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate (CAS 680579-65-1), with molecular formula C13H7ClF6O2 and molecular weight 344.00 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate.
Chemical Property Profile of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate
Property Insights of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate
The XLogP value of 3.8577 indicates that 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate 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 2-chloroacetate has 0 hydrogen bond donor(s) and 2 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-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate?
The CAS number of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate is 680579-65-1.
What is the molecular formula of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate?
The molecular formula of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate is C13H7ClF6O2.
What is the molecular weight of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate?
The molecular weight of 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate is 344.00 g/mol.
Where can I buy 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate?
You can request a quote for 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate 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 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.