Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate
TL;DR: Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate (CAS 304884-69-3) is a chemical compound with molecular formula C12H13F2NO5S and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonate
Also Known As: BAS 00184568, phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate, AF-399/32023011, phenyl 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonate, phenyl (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonate
| Molecular Formula | C12H13F2NO5S |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 0.8468 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04825 |
| Heavy Atoms | 21 |
| Complexity | 599.3336 |
Chemical Identifiers
| CAS Number | 304884-69-3 |
|---|---|
| SMILES | C1COCCN1C(=O)C(F)(F)S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate (CAS 304884-69-3), with molecular formula C12H13F2NO5S and molecular weight 321.05 g/mol. IUPAC: phenyl 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonate.
Chemical Property Profile of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate
Property Insights of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate
The XLogP value of 0.8468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate. Following Lipinski's Rule of Five, Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate has 0 hydrogen bond donor(s) and 5 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 Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate?
The CAS number of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate is 304884-69-3.
What is the molecular formula of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate?
The molecular formula of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate is C12H13F2NO5S.
What is the molecular weight of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate?
The molecular weight of Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate is 321.05 g/mol.
Where can I buy Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate?
You can request a quote for Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 1,1-difluoro-2-(4-morpholinyl)-2-oxoethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.