3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid
TL;DR: 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid (CAS 856437-80-4) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(dimethylamino)methyl]indol-1-yl]propanoic acid
Also Known As: BAS 10145997, 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid, 3-{3-[(dimethylamino)methyl]indolyl}propanoic acid, 3-[3-(dimethylaminomethyl)indol-1-yl]propanoic acid
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 856437-80-4 |
|---|---|
| SMILES | CN(C)CC1=CN(C2=CC=CC=C21)CCC(=O)O |
| InChIKey | YXYAKJKQODCBDT-UHFFFAOYSA-N |
Product Overview
3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid (CAS 856437-80-4), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 3-[3-[(dimethylamino)methyl]indol-1-yl]propanoic acid.
Chemical Property Profile of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid
Property Insights of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid
The XLogP value of -1.0 indicates that 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.5 Ų, 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid has 1 hydrogen bond donor(s) and 3 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 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid?
The CAS number of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid is 856437-80-4.
What is the molecular formula of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid?
The molecular formula of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid is C14H18N2O2.
What is the molecular weight of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid?
The molecular weight of 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid is 246.14 g/mol.
Where can I buy 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid?
You can request a quote for 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Dimethylaminomethyl-indol-1-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.