N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 312518-06-2) is a chemical compound with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: AB00121823-01, 3-[(4-butylthiophenyl)amino]benzo[d]1,2-thiazoline-1,1-dione, N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, A1975/0083064, 3-[4-(butylsulfanyl)anilino]-1H-1,2-benzisothiazole-1,1-dione
| Molecular Formula | C17H18N2O2S2 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 4.1398 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.08096 |
| Heavy Atoms | 23 |
| Complexity | 827.9268 |
Chemical Identifiers
| CAS Number | 312518-06-2 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 312518-06-2), with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol. IUPAC: N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 4.1398 indicates that N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has 1 hydrogen bond donor(s) and 4 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 N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 312518-06-2.
What is the molecular formula of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C17H18N2O2S2.
What is the molecular weight of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 346.08 g/mol.
Where can I buy N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.