![Benzoic acid, 4-[(heptafluoropropyl)thio]- structure](/static/products/884/88489-74-1.png)
Benzoic acid, 4-[(heptafluoropropyl)thio]-
TL;DR: Benzoic acid, 4-[(heptafluoropropyl)thio]- (CAS 88489-74-1) is a chemical compound with molecular formula C10H5F7O2S and molecular weight 321.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)benzoic acid
Also Known As: Benzoic acid, 4-[(heptafluoropropyl)thio]-, 4-(Heptafluoropropylthio)benzoic acid, 4-[(Heptafluoropropyl)thio]benzoic acid, 4-[(heptafluoropropyl)sulfanyl]benzoic acid, 4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)benzoic Acid
| Molecular Formula | C10H5F7O2S |
|---|---|
| Molecular Weight | 321.99 g/mol |
| LogP | 4.2673 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.98984 |
| Heavy Atoms | 20 |
| Complexity | 495.32272 |
Chemical Identifiers
| CAS Number | 88489-74-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)SC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Benzoic acid, 4-[(heptafluoropropyl)thio]- (CAS 88489-74-1), with molecular formula C10H5F7O2S and molecular weight 321.99 g/mol. IUPAC: 4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[(heptafluoropropyl)thio]-
Property Insights of Benzoic acid, 4-[(heptafluoropropyl)thio]-
The XLogP value of 4.2673 indicates that Benzoic acid, 4-[(heptafluoropropyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 4-[(heptafluoropropyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(heptafluoropropyl)thio]- has 1 hydrogen bond donor(s) and 2 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 Benzoic acid, 4-[(heptafluoropropyl)thio]-?
The CAS number of Benzoic acid, 4-[(heptafluoropropyl)thio]- is 88489-74-1.
What is the molecular formula of Benzoic acid, 4-[(heptafluoropropyl)thio]-?
The molecular formula of Benzoic acid, 4-[(heptafluoropropyl)thio]- is C10H5F7O2S.
What is the molecular weight of Benzoic acid, 4-[(heptafluoropropyl)thio]-?
The molecular weight of Benzoic acid, 4-[(heptafluoropropyl)thio]- is 321.99 g/mol.
Where can I buy Benzoic acid, 4-[(heptafluoropropyl)thio]-?
You can request a quote for Benzoic acid, 4-[(heptafluoropropyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(heptafluoropropyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(heptafluoropropyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.