Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate
TL;DR: Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate (CAS 83846-71-3) is a chemical compound with molecular formula C10H8F10O2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(trifluoromethyl)pent-4-enoate
Also Known As: EINECS 281-049-7, Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate, Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-, methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(trifluoromethyl)pent-4-enoate, METHYL 2-(HEPTAFLUOROPROPYL)-2-(TRIFLUOROMETHYL)PENT-4-ENOATE
| Molecular Formula | C10H8F10O2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 4.1171 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.03647 |
| Heavy Atoms | 22 |
| Complexity | 435.96866 |
Chemical Identifiers
| CAS Number | 83846-71-3 |
|---|---|
| SMILES | COC(=O)C(CC=C)(C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F |
Product Overview
Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate (CAS 83846-71-3), with molecular formula C10H8F10O2 and molecular weight 350.04 g/mol. IUPAC: methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(trifluoromethyl)pent-4-enoate.
Chemical Property Profile of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate
Property Insights of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate
The XLogP value of 4.1171 indicates that Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate 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 Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate?
The CAS number of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate is 83846-71-3.
What is the molecular formula of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate?
The molecular formula of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate is C10H8F10O2.
What is the molecular weight of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate?
The molecular weight of Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate is 350.04 g/mol.
Where can I buy Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate?
You can request a quote for Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.