Pentadecyl heptafluorobutanoate
TL;DR: Pentadecyl heptafluorobutanoate (CAS 959261-23-5) is a chemical compound with molecular formula C19H31F7O2 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: pentadecyl heptafluorobutanoate, pentadecyl heptafluorobutyrate, Heptafluorobutyric acid pentadecyl ester, Heptafluorobutyric acid, pentadecyl ester, Heptafluorobutyric acid, n-pentadecyl ester
| Molecular Formula | C19H31F7O2 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 424.22122 |
| Heavy Atoms | 28 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 959261-23-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | LSNYOOKRVAXMSQ-UHFFFAOYSA-N |
Product Overview
Pentadecyl heptafluorobutanoate (CAS 959261-23-5), with molecular formula C19H31F7O2 and molecular weight 424.22 g/mol. IUPAC: pentadecyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Pentadecyl heptafluorobutanoate
Property Insights of Pentadecyl heptafluorobutanoate
The XLogP value of 9.8 indicates that Pentadecyl heptafluorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentadecyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentadecyl heptafluorobutanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentadecyl heptafluorobutanoate?
The CAS number of Pentadecyl heptafluorobutanoate is 959261-23-5.
What is the molecular formula of Pentadecyl heptafluorobutanoate?
The molecular formula of Pentadecyl heptafluorobutanoate is C19H31F7O2.
What is the molecular weight of Pentadecyl heptafluorobutanoate?
The molecular weight of Pentadecyl heptafluorobutanoate is 424.22 g/mol.
Where can I buy Pentadecyl heptafluorobutanoate?
You can request a quote for Pentadecyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentadecyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentadecyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.