4-Bromo-3,3,4,4-tetrafluoro-2-butanol
TL;DR: 4-Bromo-3,3,4,4-tetrafluoro-2-butanol (CAS 74646-39-2) is a chemical compound with molecular formula C4H5BrF4O and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3,3,4,4-tetrafluorobutan-2-ol
Also Known As: 4-Bromo-3,3,4,4-tetrafluoro-2-butanol, 4-bromo-3,3,4,4-tetrafluorobutan-2-ol, 2-Butanol, 4-bromo-3,3,4,4-tetrafluoro-, 4-Bromo-3,3,4,4-tetrafluoro-2-butanol #
| Molecular Formula | C4H5BrF4O |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.94598 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 74646-39-2 |
|---|---|
| SMILES | CC(C(C(F)(F)Br)(F)F)O |
| InChIKey | YFBPZFMOKSFFLT-UHFFFAOYSA-N |
Product Overview
4-Bromo-3,3,4,4-tetrafluoro-2-butanol (CAS 74646-39-2), with molecular formula C4H5BrF4O and molecular weight 223.95 g/mol. IUPAC: 4-bromo-3,3,4,4-tetrafluorobutan-2-ol.
Chemical Property Profile of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol
Property Insights of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3,3,4,4-tetrafluoro-2-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Bromo-3,3,4,4-tetrafluoro-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3,3,4,4-tetrafluoro-2-butanol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol?
The CAS number of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol is 74646-39-2.
What is the molecular formula of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol?
The molecular formula of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol is C4H5BrF4O.
What is the molecular weight of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol?
The molecular weight of 4-Bromo-3,3,4,4-tetrafluoro-2-butanol is 223.95 g/mol.
Where can I buy 4-Bromo-3,3,4,4-tetrafluoro-2-butanol?
You can request a quote for 4-Bromo-3,3,4,4-tetrafluoro-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3,3,4,4-tetrafluoro-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3,3,4,4-tetrafluoro-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.