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Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-
TL;DR: Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- (CAS 68400-48-6) is a chemical compound with molecular formula C17H21NO2S and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethoxy-4-(4-methylphenyl)sulfanylaniline
Also Known As: 2,5-Diethoxy-4-(p-tolylthio)aniline, 2,5-DIETHOXY-4-((4-METHYLPHENYL)THIO)ANILINE, 2,5-Diethoxy-4-( aniline, 4-p-Tolylmercapto-2,5-diethoxyaniline, 2,5-Diethoxy-4-((p-tolyl)thio)aniline
| Molecular Formula | C17H21NO2S |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.1293 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 68400-48-6 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1N)OCC)SC2=CC=C(C=C2)C |
| InChIKey | ONYJVUIBPVYRDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- (CAS 68400-48-6), with molecular formula C17H21NO2S and molecular weight 303.13 g/mol. IUPAC: 2,5-diethoxy-4-(4-methylphenyl)sulfanylaniline.
Chemical Property Profile of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-
Property Insights of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-
The XLogP value of 4.4 indicates that Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-. Following Lipinski's Rule of Five, Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- 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 Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-?
The CAS number of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- is 68400-48-6.
What is the molecular formula of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-?
The molecular formula of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- is C17H21NO2S.
What is the molecular weight of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-?
The molecular weight of Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- is 303.13 g/mol.
Where can I buy Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-?
You can request a quote for Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.