1,4-Naphthalenedione, 2-(hydroxymethyl)-
TL;DR: 1,4-Naphthalenedione, 2-(hydroxymethyl)- (CAS 6340-97-2) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)naphthalene-1,4-dione
Also Known As: hydroxymethylnaphthoquinone, 2-(hydroxymethyl)naphthalene-1,4-dione, Vitamin K2 Impurity 34, 1,4-Naphthalenedione, 2-(hydroxymethyl)-, 2-(Hydroxymethyl)-1,4-naphthoquinone
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 6340-97-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)CO |
| InChIKey | UILUHPCHRFOCEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-(hydroxymethyl)- (CAS 6340-97-2), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 2-(hydroxymethyl)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(hydroxymethyl)-
Property Insights of 1,4-Naphthalenedione, 2-(hydroxymethyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-(hydroxymethyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Naphthalenedione, 2-(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(hydroxymethyl)- has 1 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 1,4-Naphthalenedione, 2-(hydroxymethyl)-?
The CAS number of 1,4-Naphthalenedione, 2-(hydroxymethyl)- is 6340-97-2.
What is the molecular formula of 1,4-Naphthalenedione, 2-(hydroxymethyl)-?
The molecular formula of 1,4-Naphthalenedione, 2-(hydroxymethyl)- is C11H8O3.
What is the molecular weight of 1,4-Naphthalenedione, 2-(hydroxymethyl)-?
The molecular weight of 1,4-Naphthalenedione, 2-(hydroxymethyl)- is 188.05 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(hydroxymethyl)-?
You can request a quote for 1,4-Naphthalenedione, 2-(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.