4-(Heptadecafluorooctyl)aniline
TL;DR: 4-(Heptadecafluorooctyl)aniline (CAS 83766-52-3) is a chemical compound with molecular formula C14H6F17N and molecular weight 511.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
Also Known As: 4-(Perfluorooctyl)aniline, 4-(Heptadecafluorooctyl)aniline, 4-perfluorooctylaniline, 4-(Perfluorooctyl);aniline, 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
| Molecular Formula | C14H6F17N |
|---|---|
| Molecular Weight | 511.02 g/mol |
| LogP | 6.7347 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.0229 |
| Heavy Atoms | 32 |
| Complexity | 820.6454 |
Chemical Identifiers
| CAS Number | 83766-52-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N |
Product Overview
4-(Heptadecafluorooctyl)aniline (CAS 83766-52-3), with molecular formula C14H6F17N and molecular weight 511.02 g/mol. IUPAC: 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline.
Chemical Property Profile of 4-(Heptadecafluorooctyl)aniline
Property Insights of 4-(Heptadecafluorooctyl)aniline
The XLogP value of 6.7347 indicates that 4-(Heptadecafluorooctyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Heptadecafluorooctyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Heptadecafluorooctyl)aniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Heptadecafluorooctyl)aniline?
The CAS number of 4-(Heptadecafluorooctyl)aniline is 83766-52-3.
What is the molecular formula of 4-(Heptadecafluorooctyl)aniline?
The molecular formula of 4-(Heptadecafluorooctyl)aniline is C14H6F17N.
What is the molecular weight of 4-(Heptadecafluorooctyl)aniline?
The molecular weight of 4-(Heptadecafluorooctyl)aniline is 511.02 g/mol.
Where can I buy 4-(Heptadecafluorooctyl)aniline?
You can request a quote for 4-(Heptadecafluorooctyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Heptadecafluorooctyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Heptadecafluorooctyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.