amino}methyl)phenyl 4-fluorobenzene-1-sulfonate structure](/static/products/5963/5963-24-6.webp)
4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
TL;DR: 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate (CAS 5963-24-6) is a chemical compound with molecular formula C25H27FN2O6S and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate, 3-(3,5-dimethoxyphenyl)-1-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-1-propan-2-yl-urea, [4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
| Molecular Formula | C25H27FN2O6S |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 5.0531 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.15738 |
| Heavy Atoms | 35 |
| Complexity | 1239.8695 |
Chemical Identifiers
| CAS Number | 5963-24-6 |
|---|---|
| SMILES | CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC(=C3)OC)OC |
Product Overview
4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate (CAS 5963-24-6), with molecular formula C25H27FN2O6S and molecular weight 502.16 g/mol. IUPAC: [4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Property Insights of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
The XLogP value of 5.0531 indicates that 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The CAS number of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is 5963-24-6.
What is the molecular formula of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The molecular formula of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is C25H27FN2O6S.
What is the molecular weight of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The molecular weight of 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is 502.16 g/mol.
Where can I buy 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
You can request a quote for 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)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-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.