3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-
TL;DR: 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- (CAS 138559-05-4) is a chemical compound with molecular formula C13H18NO+ and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol
Also Known As: DYD-XYC-1, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol, BAS 00398872, 1-(2-hydroxyethyl)-2,3,3-trimethyl-3H-indol-1-ium
| Molecular Formula | C13H18NO+ |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 2.075 |
| Topological Polar Surface Area | 23.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.13884 |
| Heavy Atoms | 15 |
| Complexity | 418.29907 |
Chemical Identifiers
| CAS Number | 138559-05-4 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C1(C)C)CCO |
Product Overview
3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- (CAS 138559-05-4), with molecular formula C13H18NO+ and molecular weight 204.14 g/mol. IUPAC: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol.
Chemical Property Profile of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-
Property Insights of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-
The XLogP value of 2.075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-. With a topological polar surface area (TPSA) of 23.24 Ų, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- has 1 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 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-?
The CAS number of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- is 138559-05-4.
What is the molecular formula of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-?
The molecular formula of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- is C13H18NO+.
What is the molecular weight of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-?
The molecular weight of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- is 204.14 g/mol.
Where can I buy 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-?
You can request a quote for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.