Ketone, hydroxymethyl 2-indolyl-
TL;DR: Ketone, hydroxymethyl 2-indolyl- (CAS 52098-13-2) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-(1H-indol-2-yl)ethanone
Also Known As: 2-(Hydroxyacetyl)indole, hydroxyacetylindole, Hydroxymethyl 2-indolyl ketone, KETONE, HYDROXYMETHYL 2-INDOLYL-, 2-hydroxy-1-(1H-indol-2-yl)ethanone
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 52098-13-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)C(=O)CO |
| InChIKey | YLTXNJDKNASTBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ketone, hydroxymethyl 2-indolyl- (CAS 52098-13-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-hydroxy-1-(1H-indol-2-yl)ethanone.
Chemical Property Profile of Ketone, hydroxymethyl 2-indolyl-
Property Insights of Ketone, hydroxymethyl 2-indolyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, hydroxymethyl 2-indolyl-. With a topological polar surface area (TPSA) of 53.1 Ų, Ketone, hydroxymethyl 2-indolyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, hydroxymethyl 2-indolyl- 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 Ketone, hydroxymethyl 2-indolyl-?
The CAS number of Ketone, hydroxymethyl 2-indolyl- is 52098-13-2.
What is the molecular formula of Ketone, hydroxymethyl 2-indolyl-?
The molecular formula of Ketone, hydroxymethyl 2-indolyl- is C10H9NO2.
What is the molecular weight of Ketone, hydroxymethyl 2-indolyl-?
The molecular weight of Ketone, hydroxymethyl 2-indolyl- is 175.06 g/mol.
Where can I buy Ketone, hydroxymethyl 2-indolyl-?
You can request a quote for Ketone, hydroxymethyl 2-indolyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, hydroxymethyl 2-indolyl-?
Yes, KEHONG BIO provides custom synthesis services for Ketone, hydroxymethyl 2-indolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.