![Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) structure](/static/products/2005/20057-05-0.webp)
Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)
TL;DR: Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) (CAS 20057-05-0) is a chemical compound with molecular formula C31H33FN4O8S2 and molecular weight 672.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonic acid;4-[[4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl]carbamoylamino]benzenesulfonyl fluoride
Also Known As: Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1), benzenesulfonic acid; 4-[[4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl]carbamoylamino]benzenesulfonyl fluoride, Benzenesulfonic acid;4-[[4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl]carbamoylamino]benzenesulfonyl fluoride
| Molecular Formula | C31H33FN4O8S2 |
|---|---|
| Molecular Weight | 672.17 g/mol |
| LogP | 5.75259 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 672.17236 |
| Heavy Atoms | 46 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 20057-05-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCCCOC2=CC=C(C=C2)C(=N)N)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)F.C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | IYNJEEQGDVNJMI-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) (CAS 20057-05-0), with molecular formula C31H33FN4O8S2 and molecular weight 672.17 g/mol. IUPAC: benzenesulfonic acid;4-[[4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl]carbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)
Property Insights of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)
The XLogP value of 5.75259 indicates that Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)?
The CAS number of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) is 20057-05-0.
What is the molecular formula of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)?
The molecular formula of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) is C31H33FN4O8S2.
What is the molecular weight of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)?
The molecular weight of Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) is 672.17 g/mol.
Where can I buy Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)?
You can request a quote for Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid--4-[({4-[4-(4-carbamimidoylphenoxy)butoxy]-2-methylphenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.