Indole, 3-(3-amino-2-butyl)-5-benzylthio-
TL;DR: Indole, 3-(3-amino-2-butyl)-5-benzylthio- (CAS 5102-10-3) is a chemical compound with molecular formula C19H22N2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine
Also Known As: 3-(2'-Aminobutyl-3')-5-benzylthioindole, INDOLE, 3-(3-AMINO-2-BUTYL)-5-BENZYLTHIO-, 3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine, 5-22-12-00101 (Beilstein Handbook Reference), 3-[5-(Benzylsulfanyl)-1H-indol-3-yl]butan-2-amine
| Molecular Formula | C19H22N2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.15036 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 5102-10-3 |
|---|---|
| SMILES | CC(C1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)C(C)N |
| InChIKey | QTPKJXSZCGWIIV-UHFFFAOYSA-N |
Product Overview
Indole, 3-(3-amino-2-butyl)-5-benzylthio- (CAS 5102-10-3), with molecular formula C19H22N2S and molecular weight 310.15 g/mol. IUPAC: 3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine.
Chemical Property Profile of Indole, 3-(3-amino-2-butyl)-5-benzylthio-
Property Insights of Indole, 3-(3-amino-2-butyl)-5-benzylthio-
The XLogP value of 4.1 indicates that Indole, 3-(3-amino-2-butyl)-5-benzylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(3-amino-2-butyl)-5-benzylthio-. Following Lipinski's Rule of Five, Indole, 3-(3-amino-2-butyl)-5-benzylthio- has 2 hydrogen bond donor(s) and 2 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 Indole, 3-(3-amino-2-butyl)-5-benzylthio-?
The CAS number of Indole, 3-(3-amino-2-butyl)-5-benzylthio- is 5102-10-3.
What is the molecular formula of Indole, 3-(3-amino-2-butyl)-5-benzylthio-?
The molecular formula of Indole, 3-(3-amino-2-butyl)-5-benzylthio- is C19H22N2S.
What is the molecular weight of Indole, 3-(3-amino-2-butyl)-5-benzylthio-?
The molecular weight of Indole, 3-(3-amino-2-butyl)-5-benzylthio- is 310.15 g/mol.
Where can I buy Indole, 3-(3-amino-2-butyl)-5-benzylthio-?
You can request a quote for Indole, 3-(3-amino-2-butyl)-5-benzylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(3-amino-2-butyl)-5-benzylthio-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(3-amino-2-butyl)-5-benzylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.