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1-(hydroxymethyl)benzo[cd]indol-2(1H)-one
TL;DR: 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one (CAS 114044-22-3) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hydroxymethyl)benzo[cd]indol-2-one
Also Known As: 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one, 1-(hydroxymethyl)benzo[cd]indol-2-one, IFLAB-BB F0318-0056, AF-399/11786111
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 114044-22-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CO |
| InChIKey | PTMYWVRSZSMUHX-UHFFFAOYSA-N |
Product Overview
1-(hydroxymethyl)benzo[cd]indol-2(1H)-one (CAS 114044-22-3), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 1-(hydroxymethyl)benzo[cd]indol-2-one.
Chemical Property Profile of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one
Property Insights of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one has 1 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 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one?
The CAS number of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one is 114044-22-3.
What is the molecular formula of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one?
The molecular formula of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one is C12H9NO2.
What is the molecular weight of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one?
The molecular weight of 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one is 199.06 g/mol.
Where can I buy 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one?
You can request a quote for 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(hydroxymethyl)benzo[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.