![4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate structure](/static/products/3297/329778-28-1.webp)
4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate
TL;DR: 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate (CAS 329778-28-1) is a chemical compound with molecular formula C20H14FNO5S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate, [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-fluorobenzenesulfonate, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl 4-fluorobenzene-1-sulfonate, 1-benzo[1,3]dioxol-5-yl-N-[4-(4-fluorophenyl)sulfonyloxyphenyl]methanimine, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl4-fluorobenzene-1-sulfonate
| Molecular Formula | C20H14FNO5S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 4.0727 |
| Topological Polar Surface Area | 74.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.05768 |
| Heavy Atoms | 28 |
| Complexity | 1126.2626 |
Chemical Identifiers
| CAS Number | 329778-28-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate (CAS 329778-28-1), with molecular formula C20H14FNO5S and molecular weight 399.06 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate
Property Insights of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate
The XLogP value of 4.0727 indicates that 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate 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 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate?
The CAS number of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate is 329778-28-1.
What is the molecular formula of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate?
The molecular formula of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate is C20H14FNO5S.
What is the molecular weight of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate?
The molecular weight of 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate is 399.06 g/mol.
Where can I buy 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate?
You can request a quote for 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}phenyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.