1,4-Naphthalenedione, 6-(hydroxymethyl)-
TL;DR: 1,4-Naphthalenedione, 6-(hydroxymethyl)- (CAS 81402-06-4) 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.
6-(hydroxymethyl)naphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 6-(hydroxymethyl)-, 6-(hydroxymethyl)naphthoquinone, 6-(hydroxymethyl)naphthalene-1,4-dione, 6-(Hydroxymethyl)-1,4-naphthoquinone, J1.468.166C
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 0.8 |
| 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 | 293.0 |
Chemical Identifiers
| CAS Number | 81402-06-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1CO)C(=O)C=CC2=O |
| InChIKey | NOHJZBWIKAMVBD-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 6-(hydroxymethyl)- (CAS 81402-06-4), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 6-(hydroxymethyl)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 6-(hydroxymethyl)-
Property Insights of 1,4-Naphthalenedione, 6-(hydroxymethyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 6-(hydroxymethyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Naphthalenedione, 6-(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 6-(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, 6-(hydroxymethyl)-?
The CAS number of 1,4-Naphthalenedione, 6-(hydroxymethyl)- is 81402-06-4.
What is the molecular formula of 1,4-Naphthalenedione, 6-(hydroxymethyl)-?
The molecular formula of 1,4-Naphthalenedione, 6-(hydroxymethyl)- is C11H8O3.
What is the molecular weight of 1,4-Naphthalenedione, 6-(hydroxymethyl)-?
The molecular weight of 1,4-Naphthalenedione, 6-(hydroxymethyl)- is 188.05 g/mol.
Where can I buy 1,4-Naphthalenedione, 6-(hydroxymethyl)-?
You can request a quote for 1,4-Naphthalenedione, 6-(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, 6-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 6-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.