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p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]
TL;DR: p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] (CAS 71795-17-0) is a chemical compound with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-acetamidophenyl)sulfonyl-N'-benzylcarbamimidothioate
Also Known As: p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French], Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-(phenylmethyl)-, methyl ester, p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree, Methyl N'-((4-(acetylamino)phenyl)sulfonyl)-N-(phenylmethyl)carbamimidothioate, Methyl N-(4-acetamidobenzene-1-sulfonyl)-N'-benzylcarbamimidothioate
| Molecular Formula | C17H19N3O3S2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 2.8425 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0868 |
| Heavy Atoms | 25 |
| Complexity | 848.4666 |
Chemical Identifiers
| CAS Number | 71795-17-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)SC |
Product Overview
p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] (CAS 71795-17-0), with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol. IUPAC: methyl N-(4-acetamidophenyl)sulfonyl-N'-benzylcarbamimidothioate.
Chemical Property Profile of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]
Property Insights of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]
The XLogP value of 2.8425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]. Following Lipinski's Rule of Five, p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] 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 p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]?
The CAS number of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] is 71795-17-0.
What is the molecular formula of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]?
The molecular formula of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] is C17H19N3O3S2.
What is the molecular weight of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]?
The molecular weight of p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] is 377.09 g/mol.
Where can I buy p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]?
You can request a quote for p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French]?
Yes, KEHONG BIO provides custom synthesis services for p-Acetamidobenzenesulfonyl-3 benzyl-1 methyl-2 isothiouree [French] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.