4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride
TL;DR: 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride (CAS 21322-46-3) is a chemical compound with molecular formula C15H16FN3O3S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-aminophenyl)methyl-methylcarbamoyl]amino]benzenesulfonyl fluoride
Also Known As: starbld0019458, 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride, 4-[[(4-aminophenyl)methyl-methylcarbamoyl]amino]benzenesulfo, 4-[[(4-aminophenyl)methyl-methylcarbamoyl]amino]benzenesulfonyl fluoride, 3,3'-(Methyliminobismethylene)bis(5,5-diphenylimidazolidine-2,4-dione)
| Molecular Formula | C15H16FN3O3S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.08963 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 21322-46-3 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)F |
| InChIKey | VVLGODVPTXTRRH-UHFFFAOYSA-N |
Product Overview
4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride (CAS 21322-46-3), with molecular formula C15H16FN3O3S and molecular weight 337.09 g/mol. IUPAC: 4-[[(4-aminophenyl)methyl-methylcarbamoyl]amino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride
Property Insights of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride has 2 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 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride?
The CAS number of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride is 21322-46-3.
What is the molecular formula of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride is C15H16FN3O3S.
What is the molecular weight of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride is 337.09 g/mol.
Where can I buy 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride?
You can request a quote for 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.