4-(溴甲基)苯-1-磺酰氟
TL;DR: 4-(溴甲基)苯-1-磺酰氟 (CAS 7612-88-6) is a chemical compound with molecular formula C7H6BrFO2S and molecular weight 251.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(溴甲基)苯-1-磺酰氟
4-(bromomethyl)benzenesulfonyl fluoride
Also Known As: 4-(Bromomethyl)benzenesulfonyl fluoride, 4-(Bromomethyl)benzene-1-sulfonyl fluoride, 4-(bromomethyl)- Benzenesulfonyl fluoride, Benzenesulfonyl fluoride, 4-(bromomethyl)-, p-Toluenesulfonyl fluoride, alpha-bromo-
| Molecular Formula | C7H6BrFO2S |
|---|---|
| Molecular Weight | 251.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.92558 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 7612-88-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)S(=O)(=O)F |
| InChIKey | WWAPDVQUZYCNCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(溴甲基)苯-1-磺酰氟 (CAS 7612-88-6), with molecular formula C7H6BrFO2S and molecular weight 251.93 g/mol. IUPAC: 4-(bromomethyl)benzenesulfonyl fluoride.
Chemical Property Profile of 4-(溴甲基)苯-1-磺酰氟
Property Insights of 4-(溴甲基)苯-1-磺酰氟
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(溴甲基)苯-1-磺酰氟. With a topological polar surface area (TPSA) of 42.5 Ų, 4-(溴甲基)苯-1-磺酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(溴甲基)苯-1-磺酰氟 has 0 hydrogen bond donor(s) and 3 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-(溴甲基)苯-1-磺酰氟?
The CAS number of 4-(溴甲基)苯-1-磺酰氟 is 7612-88-6.
What is the molecular formula of 4-(溴甲基)苯-1-磺酰氟?
The molecular formula of 4-(溴甲基)苯-1-磺酰氟 is C7H6BrFO2S.
What is the molecular weight of 4-(溴甲基)苯-1-磺酰氟?
The molecular weight of 4-(溴甲基)苯-1-磺酰氟 is 251.93 g/mol.
Where can I buy 4-(溴甲基)苯-1-磺酰氟?
You can request a quote for 4-(溴甲基)苯-1-磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(溴甲基)苯-1-磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 4-(溴甲基)苯-1-磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.