Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
TL;DR: Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate (CAS 76552-45-9) is a chemical compound with molecular formula C10H9FO5S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate, METHYL 3-[4-(FLUOROSULFONYL)PHENYL]-3-OXOPROPANOATE
| Molecular Formula | C10H9FO5S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.01547 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 76552-45-9 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)S(=O)(=O)F |
| InChIKey | LQMKWWRTMAZSLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate (CAS 76552-45-9), with molecular formula C10H9FO5S and molecular weight 260.02 g/mol. IUPAC: methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
Property Insights of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 6 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 Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate?
The CAS number of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate is 76552-45-9.
What is the molecular formula of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate is C10H9FO5S.
What is the molecular weight of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate is 260.02 g/mol.
Where can I buy Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.