![4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate structure](/static/products/5963/5963-25-7.webp)
4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate
TL;DR: 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate (CAS 5963-25-7) is a chemical compound with molecular formula C31H33FN2O5S and molecular weight 564.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate, [4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate, 3-(2,6-dipropan-2-ylphenyl)-1-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-1-(2-furylmethyl)urea
| Molecular Formula | C31H33FN2O5S |
|---|---|
| Molecular Weight | 564.21 g/mol |
| LogP | 7.6675 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.2094 |
| Heavy Atoms | 40 |
| Complexity | 1505.6089 |
Chemical Identifiers
| CAS Number | 5963-25-7 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4 |
Product Overview
4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate (CAS 5963-25-7), with molecular formula C31H33FN2O5S and molecular weight 564.21 g/mol. IUPAC: [4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate
Property Insights of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate
The XLogP value of 7.6675 indicates that 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate?
The CAS number of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate is 5963-25-7.
What is the molecular formula of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate?
The molecular formula of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate is C31H33FN2O5S.
What is the molecular weight of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate?
The molecular weight of 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate is 564.21 g/mol.
Where can I buy 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate?
You can request a quote for 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.