1,6-Dibromonaphthalen-2-yl heptafluorobutanoate
TL;DR: 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate (CAS 82126-64-5) is a chemical compound with molecular formula C14H5Br2F7O2 and molecular weight 495.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,6-dibromonaphthalen-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 1,6-dibromonaphthalen-2-yl heptafluorobutanoate, (1,6-dibromonaphthalen-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate, (1,6-Dibromo-2-naphthyl) 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C14H5Br2F7O2 |
|---|---|
| Molecular Weight | 495.85 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.85446 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 82126-64-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2Br)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C1Br |
| InChIKey | BLBMEWGLTBPTKF-UHFFFAOYSA-N |
Product Overview
1,6-Dibromonaphthalen-2-yl heptafluorobutanoate (CAS 82126-64-5), with molecular formula C14H5Br2F7O2 and molecular weight 495.85 g/mol. IUPAC: (1,6-dibromonaphthalen-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate
Property Insights of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate
The XLogP value of 6.8 indicates that 1,6-Dibromonaphthalen-2-yl 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, 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dibromonaphthalen-2-yl 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 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate?
The CAS number of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate is 82126-64-5.
What is the molecular formula of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate?
The molecular formula of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate is C14H5Br2F7O2.
What is the molecular weight of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate?
The molecular weight of 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate is 495.85 g/mol.
Where can I buy 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate?
You can request a quote for 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dibromonaphthalen-2-yl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.