苯甲基磺酰氟
TL;DR: 苯甲基磺酰氟 (CAS 329-98-6) is a chemical compound with molecular formula C7H7FO2S and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲基磺酰氟
phenylmethanesulfonyl fluoride
Also Known As: Phenylmethylsulfonyl fluoride, PMSF, phenylmethanesulfonyl fluoride, Benzylsulfonyl fluoride, Benzenemethanesulfonyl fluoride
| Molecular Formula | C7H7FO2S |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.01508 |
| Heavy Atoms | 11 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 329-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)F |
| InChIKey | YBYRMVIVWMBXKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲基磺酰氟 (CAS 329-98-6), with molecular formula C7H7FO2S and molecular weight 174.02 g/mol. IUPAC: phenylmethanesulfonyl fluoride.
Chemical Property Profile of 苯甲基磺酰氟
Property Insights of 苯甲基磺酰氟
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲基磺酰氟. With a topological polar surface area (TPSA) of 42.5 Ų, 苯甲基磺酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲基磺酰氟 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 苯甲基磺酰氟?
The CAS number of 苯甲基磺酰氟 is 329-98-6.
What is the molecular formula of 苯甲基磺酰氟?
The molecular formula of 苯甲基磺酰氟 is C7H7FO2S.
What is the molecular weight of 苯甲基磺酰氟?
The molecular weight of 苯甲基磺酰氟 is 174.02 g/mol.
Where can I buy 苯甲基磺酰氟?
You can request a quote for 苯甲基磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲基磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 苯甲基磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.