1,3-Difluoro-2-propanol benzenesulfonate
TL;DR: 1,3-Difluoro-2-propanol benzenesulfonate (CAS 882-71-3) is a chemical compound with molecular formula C9H10F2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-difluoropropan-2-yl benzenesulfonate
Also Known As: 1,3-difluoropropan-2-yl benzenesulfonate, 1,3-DIFLUORO-2-PROPANOL BENZENESULFONATE, J1.566.171B, Benzenesulfonic acid 1,3-difluoropropane-2-yl ester
| Molecular Formula | C9H10F2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.03188 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 882-71-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC(CF)CF |
| InChIKey | GSESOTRVUZZMII-UHFFFAOYSA-N |
Product Overview
1,3-Difluoro-2-propanol benzenesulfonate (CAS 882-71-3), with molecular formula C9H10F2O3S and molecular weight 236.03 g/mol. IUPAC: 1,3-difluoropropan-2-yl benzenesulfonate.
Chemical Property Profile of 1,3-Difluoro-2-propanol benzenesulfonate
Property Insights of 1,3-Difluoro-2-propanol benzenesulfonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Difluoro-2-propanol benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1,3-Difluoro-2-propanol benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Difluoro-2-propanol benzenesulfonate 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 1,3-Difluoro-2-propanol benzenesulfonate?
The CAS number of 1,3-Difluoro-2-propanol benzenesulfonate is 882-71-3.
What is the molecular formula of 1,3-Difluoro-2-propanol benzenesulfonate?
The molecular formula of 1,3-Difluoro-2-propanol benzenesulfonate is C9H10F2O3S.
What is the molecular weight of 1,3-Difluoro-2-propanol benzenesulfonate?
The molecular weight of 1,3-Difluoro-2-propanol benzenesulfonate is 236.03 g/mol.
Where can I buy 1,3-Difluoro-2-propanol benzenesulfonate?
You can request a quote for 1,3-Difluoro-2-propanol benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Difluoro-2-propanol benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Difluoro-2-propanol benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.