RefChem:1052750
TL;DR: RefChem:1052750 (CAS 34848-23-2) is a chemical compound with molecular formula C12H9F9O2 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol
Also Known As: 1,3-Butanediol, 1-(3-trifluoromethylphenyl)-3-trifluoromethyl-4,4,4-trifluoro-, 1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol, 4,4,4-Trifluoro-3-trifluoromethyl-1-(3-(alpha,alpha,alpha-trifluoro)tolyl)-1,3-butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)ph
| Molecular Formula | C12H9F9O2 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.04587 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 34848-23-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | HQERBWZZPCIKBQ-UHFFFAOYSA-N |
Product Overview
RefChem:1052750 (CAS 34848-23-2), with molecular formula C12H9F9O2 and molecular weight 356.05 g/mol. IUPAC: 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol.
Chemical Property Profile of RefChem:1052750
Property Insights of RefChem:1052750
The XLogP value of 3.7 indicates that RefChem:1052750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:1052750 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1052750 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052750?
The CAS number of RefChem:1052750 is 34848-23-2.
What is the molecular formula of RefChem:1052750?
The molecular formula of RefChem:1052750 is C12H9F9O2.
What is the molecular weight of RefChem:1052750?
The molecular weight of RefChem:1052750 is 356.05 g/mol.
Where can I buy RefChem:1052750?
You can request a quote for RefChem:1052750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.