1-(1,4-Dihydroxy-2-naphthyl)ethanone
TL;DR: 1-(1,4-Dihydroxy-2-naphthyl)ethanone (CAS 40661-00-5) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,4-dihydroxynaphthalen-2-yl)ethanone
Also Known As: 1-(1,4-Dihydroxy-2-naphthyl)ethanone, 1-(1,4-Dihydroxynaphthalen-2-yl)ethan-1-one, 2-Acetyl-1,4-naphthalenediol, 1-(1,4-dihydroxynaphthalen-2-yl)ethanone, 2-Mc-1,4-NHQ
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 40661-00-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O |
| InChIKey | CKLPUCARSNJTSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,4-Dihydroxy-2-naphthyl)ethanone (CAS 40661-00-5), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 1-(1,4-dihydroxynaphthalen-2-yl)ethanone.
Chemical Property Profile of 1-(1,4-Dihydroxy-2-naphthyl)ethanone
Property Insights of 1-(1,4-Dihydroxy-2-naphthyl)ethanone
The XLogP value of 3.4 indicates that 1-(1,4-Dihydroxy-2-naphthyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(1,4-Dihydroxy-2-naphthyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,4-Dihydroxy-2-naphthyl)ethanone has 2 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 1-(1,4-Dihydroxy-2-naphthyl)ethanone?
The CAS number of 1-(1,4-Dihydroxy-2-naphthyl)ethanone is 40661-00-5.
What is the molecular formula of 1-(1,4-Dihydroxy-2-naphthyl)ethanone?
The molecular formula of 1-(1,4-Dihydroxy-2-naphthyl)ethanone is C12H10O3.
What is the molecular weight of 1-(1,4-Dihydroxy-2-naphthyl)ethanone?
The molecular weight of 1-(1,4-Dihydroxy-2-naphthyl)ethanone is 202.06 g/mol.
Where can I buy 1-(1,4-Dihydroxy-2-naphthyl)ethanone?
You can request a quote for 1-(1,4-Dihydroxy-2-naphthyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,4-Dihydroxy-2-naphthyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,4-Dihydroxy-2-naphthyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.