3-(Pentafluorosulfanyl)benzoyl chloride
TL;DR: 3-(Pentafluorosulfanyl)benzoyl chloride (CAS 401892-81-7) is a chemical compound with molecular formula C7H4ClF5OS and molecular weight 265.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pentafluoro-λ6-sulfanyl)benzoyl chloride
Also Known As: 3-(Pentafluorosulfanyl)benzoyl chloride, 3-(pentafluoro-, 3-Pentafluorosulfur benzoyl chloride, 3-(Pentafluorosulfur)benzoyl chloride, 3-(Pentafluorothio)benzoyl chloride
| Molecular Formula | C7H4ClF5OS |
|---|---|
| Molecular Weight | 265.96 g/mol |
| LogP | 4.723 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.95917 |
| Heavy Atoms | 15 |
| Complexity | 425.61978 |
Chemical Identifiers
| CAS Number | 401892-81-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)Cl |
Product Overview
3-(Pentafluorosulfanyl)benzoyl chloride (CAS 401892-81-7), with molecular formula C7H4ClF5OS and molecular weight 265.96 g/mol. IUPAC: 3-(pentafluoro-λ6-sulfanyl)benzoyl chloride.
Chemical Property Profile of 3-(Pentafluorosulfanyl)benzoyl chloride
Property Insights of 3-(Pentafluorosulfanyl)benzoyl chloride
The XLogP value of 4.723 indicates that 3-(Pentafluorosulfanyl)benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(Pentafluorosulfanyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentafluorosulfanyl)benzoyl chloride has 0 hydrogen bond donor(s) and 1 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 3-(Pentafluorosulfanyl)benzoyl chloride?
The CAS number of 3-(Pentafluorosulfanyl)benzoyl chloride is 401892-81-7.
What is the molecular formula of 3-(Pentafluorosulfanyl)benzoyl chloride?
The molecular formula of 3-(Pentafluorosulfanyl)benzoyl chloride is C7H4ClF5OS.
What is the molecular weight of 3-(Pentafluorosulfanyl)benzoyl chloride?
The molecular weight of 3-(Pentafluorosulfanyl)benzoyl chloride is 265.96 g/mol.
Where can I buy 3-(Pentafluorosulfanyl)benzoyl chloride?
You can request a quote for 3-(Pentafluorosulfanyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentafluorosulfanyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentafluorosulfanyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.