RefChem:331384
TL;DR: RefChem:331384 (CAS 101247-78-3) is a chemical compound with molecular formula C16H12F12O4 and molecular weight 496.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one
Also Known As: Butyrophenone, 4'-(1,3-dihydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl)-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, 4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one, 4,4,4-Trifluoro-3-hydroxy-1-{4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl}-3-(trifluoromethyl)butan-1-one, 1-Butanone, 4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)-, 4 -[1,3-Dihydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl]-beta-hydroxy-gamma,gamma,gamma-trifluoro-beta-(trifluoromethyl)butyrophenone
| Molecular Formula | C16H12F12O4 |
|---|---|
| Molecular Weight | 496.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.05438 |
| Heavy Atoms | 32 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 101247-78-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | HEBKBNIPLXYMCJ-UHFFFAOYSA-N |
Product Overview
RefChem:331384 (CAS 101247-78-3), with molecular formula C16H12F12O4 and molecular weight 496.05 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of RefChem:331384
Property Insights of RefChem:331384
The XLogP value of 3.9 indicates that RefChem:331384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331384. Following Lipinski's Rule of Five, RefChem:331384 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331384?
The CAS number of RefChem:331384 is 101247-78-3.
What is the molecular formula of RefChem:331384?
The molecular formula of RefChem:331384 is C16H12F12O4.
What is the molecular weight of RefChem:331384?
The molecular weight of RefChem:331384 is 496.05 g/mol.
Where can I buy RefChem:331384?
You can request a quote for RefChem:331384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331384?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.