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1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
TL;DR: 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (CAS 685131-53-7) is a chemical compound with molecular formula C21H25N3S and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
Also Known As: 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea, [(4-butylphenyl)amino][(2-indol-3-ylethyl)amino]methane-1-thione
| Molecular Formula | C21H25N3S |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 5.0396 |
| Topological Polar Surface Area | 39.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.1769 |
| Heavy Atoms | 25 |
| Complexity | 820.53326 |
Chemical Identifiers
| CAS Number | 685131-53-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (CAS 685131-53-7), with molecular formula C21H25N3S and molecular weight 351.18 g/mol. IUPAC: 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea.
Chemical Property Profile of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
Property Insights of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
The XLogP value of 5.0396 indicates that 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.85 Ų, 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea has 3 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The CAS number of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is 685131-53-7.
What is the molecular formula of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The molecular formula of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is C21H25N3S.
What is the molecular weight of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The molecular weight of 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is 351.18 g/mol.
Where can I buy 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
You can request a quote for 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-butylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.