2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
TL;DR: 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) (CAS 73826-56-9) is a chemical compound with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-sulfobenzoic acid;2-(1H-indol-3-yl)-N-methylethanamine
Also Known As: 3-(2-(Methylamino)ethyl)indole sulfosalicylate, N'-Methyl-beta-3-indolylethylamine sulphosalicylate, INDOLE, 3-(2-(METHYLAMINO)ETHYL)-, SULFOSALICYLATE, 2-hydroxy-5-sulfobenzoic acid; 2-(1H-indol-3-yl)-N-methylethanamine, 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
| Molecular Formula | C18H20N2O6S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.10422 |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 73826-56-9 |
|---|---|
| SMILES | CNCCC1=CNC2=CC=CC=C21.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O |
| InChIKey | RSDLJUGOOWYSHN-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) (CAS 73826-56-9), with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol. IUPAC: 2-hydroxy-5-sulfobenzoic acid;2-(1H-indol-3-yl)-N-methylethanamine.
Chemical Property Profile of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
Property Insights of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1). The TPSA of 148.0 Ų indicates high polarity, suggesting 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) has 5 hydrogen bond donor(s) and 7 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 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)?
The CAS number of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) is 73826-56-9.
What is the molecular formula of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)?
The molecular formula of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) is C18H20N2O6S.
What is the molecular weight of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)?
The molecular weight of 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) is 392.10 g/mol.
Where can I buy 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)?
You can request a quote for 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.