1-(6-chloro-1H-indol-3-yl)butan-2-amine
TL;DR: 1-(6-chloro-1H-indol-3-yl)butan-2-amine (CAS 716-22-3) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-1H-indol-3-yl)butan-2-amine
Also Known As: 1-(6-chloro-indol-3-ylmethyl)-propylamine, 1-(6-chloro-1H-indol-3-yl)butan-2-amine, D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
| Molecular Formula | C12H15ClN2 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.09238 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 716-22-3 |
|---|---|
| SMILES | CCC(CC1=CNC2=C1C=CC(=C2)Cl)N |
| InChIKey | CGPIRIQGDGRKPH-UHFFFAOYSA-N |
Product Overview
1-(6-chloro-1H-indol-3-yl)butan-2-amine (CAS 716-22-3), with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol. IUPAC: 1-(6-chloro-1H-indol-3-yl)butan-2-amine.
Chemical Property Profile of 1-(6-chloro-1H-indol-3-yl)butan-2-amine
Property Insights of 1-(6-chloro-1H-indol-3-yl)butan-2-amine
The XLogP value of 3.4 indicates that 1-(6-chloro-1H-indol-3-yl)butan-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, 1-(6-chloro-1H-indol-3-yl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-chloro-1H-indol-3-yl)butan-2-amine has 2 hydrogen bond donor(s) and 1 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 1-(6-chloro-1H-indol-3-yl)butan-2-amine?
The CAS number of 1-(6-chloro-1H-indol-3-yl)butan-2-amine is 716-22-3.
What is the molecular formula of 1-(6-chloro-1H-indol-3-yl)butan-2-amine?
The molecular formula of 1-(6-chloro-1H-indol-3-yl)butan-2-amine is C12H15ClN2.
What is the molecular weight of 1-(6-chloro-1H-indol-3-yl)butan-2-amine?
The molecular weight of 1-(6-chloro-1H-indol-3-yl)butan-2-amine is 222.09 g/mol.
Where can I buy 1-(6-chloro-1H-indol-3-yl)butan-2-amine?
You can request a quote for 1-(6-chloro-1H-indol-3-yl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-chloro-1H-indol-3-yl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-chloro-1H-indol-3-yl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.