Difluoromethyl difluoromethanesulfonate
TL;DR: Difluoromethyl difluoromethanesulfonate (CAS 101817-80-5) is a chemical compound with molecular formula C2H2F4O3S and molecular weight 181.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
difluoromethyl difluoromethanesulfonate
Also Known As: Difluoromethyl difluoromethanesulfonate, Difluoromethyldifluoromethanesulfonate, Methanesulfonic acid, difluoro-, difluoromethyl ester, Difluoromethanesulfonic acid difluoromethyl ester, Methanesulfonic acid,difluoro-,difluoromethyl ester
| Molecular Formula | C2H2F4O3S |
|---|---|
| Molecular Weight | 181.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.96608 |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 101817-80-5 |
|---|---|
| SMILES | C(OS(=O)(=O)C(F)F)(F)F |
| InChIKey | IGPXFQOUYIQWAO-UHFFFAOYSA-N |
Product Overview
Difluoromethyl difluoromethanesulfonate (CAS 101817-80-5), with molecular formula C2H2F4O3S and molecular weight 181.97 g/mol. IUPAC: difluoromethyl difluoromethanesulfonate.
Chemical Property Profile of Difluoromethyl difluoromethanesulfonate
Property Insights of Difluoromethyl difluoromethanesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoromethyl difluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Difluoromethyl difluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoromethyl difluoromethanesulfonate has 0 hydrogen bond donor(s) and 7 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 Difluoromethyl difluoromethanesulfonate?
The CAS number of Difluoromethyl difluoromethanesulfonate is 101817-80-5.
What is the molecular formula of Difluoromethyl difluoromethanesulfonate?
The molecular formula of Difluoromethyl difluoromethanesulfonate is C2H2F4O3S.
What is the molecular weight of Difluoromethyl difluoromethanesulfonate?
The molecular weight of Difluoromethyl difluoromethanesulfonate is 181.97 g/mol.
Where can I buy Difluoromethyl difluoromethanesulfonate?
You can request a quote for Difluoromethyl difluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoromethyl difluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Difluoromethyl difluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.