Heptafluorobutanol
TL;DR: Heptafluorobutanol (CAS 375-01-9) is a chemical compound with molecular formula C4H3F7O and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutan-1-ol
Also Known As: 2,2,3,3,4,4,4-Heptafluoro-1-butanol, 2,2,3,3,4,4,4-Heptafluorobutan-1-ol, Heptafluorobutanol, (Perfluoropropyl)methanol, 1H,1H-Heptafluoro-1-butanol
| Molecular Formula | C4H3F7O |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.00722 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| Vapor Pressure | 33.1 [mmHg] |
Chemical Identifiers
| CAS Number | 375-01-9 |
|---|---|
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)O |
| InChIKey | WXJFKAZDSQLPBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptafluorobutanol (CAS 375-01-9), with molecular formula C4H3F7O and molecular weight 200.01 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutan-1-ol.
Chemical Property Profile of Heptafluorobutanol
Property Insights of Heptafluorobutanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptafluorobutanol. With a topological polar surface area (TPSA) of 20.2 Ų, Heptafluorobutanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutanol has 1 hydrogen bond donor(s) and 8 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 Heptafluorobutanol?
The CAS number of Heptafluorobutanol is 375-01-9.
What is the molecular formula of Heptafluorobutanol?
The molecular formula of Heptafluorobutanol is C4H3F7O.
What is the molecular weight of Heptafluorobutanol?
The molecular weight of Heptafluorobutanol is 200.01 g/mol.
Where can I buy Heptafluorobutanol?
You can request a quote for Heptafluorobutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutanol?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.