4-(氟磺酰基)苯甲酰氯
TL;DR: 4-(氟磺酰基)苯甲酰氯 (CAS 402-55-1) is a chemical compound with molecular formula C7H4ClFO3S and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(氟磺酰基)苯甲酰氯
4-fluorosulfonylbenzoyl chloride
Also Known As: 4-(Fluorosulfonyl)benzoyl chloride, 2-bromoquinoline, 4-fluorosulfonylbenzoyl chloride, starbld0000289, 4-(Fluorosulfonyl)benzoylchloride
| Molecular Formula | C7H4ClFO3S |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.95537 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 402-55-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)S(=O)(=O)F |
| InChIKey | JMTAYFNTRRLWQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(氟磺酰基)苯甲酰氯 (CAS 402-55-1), with molecular formula C7H4ClFO3S and molecular weight 221.96 g/mol. IUPAC: 4-fluorosulfonylbenzoyl chloride.
Chemical Property Profile of 4-(氟磺酰基)苯甲酰氯
Property Insights of 4-(氟磺酰基)苯甲酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(氟磺酰基)苯甲酰氯. With a topological polar surface area (TPSA) of 59.6 Ų, 4-(氟磺酰基)苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(氟磺酰基)苯甲酰氯 has 0 hydrogen bond donor(s) and 4 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-(氟磺酰基)苯甲酰氯?
The CAS number of 4-(氟磺酰基)苯甲酰氯 is 402-55-1.
What is the molecular formula of 4-(氟磺酰基)苯甲酰氯?
The molecular formula of 4-(氟磺酰基)苯甲酰氯 is C7H4ClFO3S.
What is the molecular weight of 4-(氟磺酰基)苯甲酰氯?
The molecular weight of 4-(氟磺酰基)苯甲酰氯 is 221.96 g/mol.
Where can I buy 4-(氟磺酰基)苯甲酰氯?
You can request a quote for 4-(氟磺酰基)苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(氟磺酰基)苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-(氟磺酰基)苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.