2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate
TL;DR: 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate (CAS 570426-76-5) is a chemical compound with molecular formula C9H9F2NO6S and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-difluoro-2-nitroethyl) 4-methoxybenzenesulfonate
Also Known As: 2,2-difluoro-2-nitroethyl 4-methoxybenzenesulfonate, (2,2-difluoro-2-nitroethyl) 4-methoxybenzenesulfonate, 1-(2,2-difluoro-2-nitro-ethoxy)sulfonyl-4-methoxy-benzene
| Molecular Formula | C9H9F2NO6S |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.01187 |
| Heavy Atoms | 19 |
| Complexity | 556.5775 |
Chemical Identifiers
| CAS Number | 570426-76-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OCC([N+](=O)[O-])(F)F |
Product Overview
2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate (CAS 570426-76-5), with molecular formula C9H9F2NO6S and molecular weight 297.01 g/mol. IUPAC: (2,2-difluoro-2-nitroethyl) 4-methoxybenzenesulfonate.
Chemical Property Profile of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate
Property Insights of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate 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 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate?
The CAS number of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate is 570426-76-5.
What is the molecular formula of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate?
The molecular formula of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate is C9H9F2NO6S.
What is the molecular weight of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate?
The molecular weight of 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate is 297.01 g/mol.
Where can I buy 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate?
You can request a quote for 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-2-nitroethyl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.