2,3,6-Trimethyl-1,4-naphthoquinone
TL;DR: 2,3,6-Trimethyl-1,4-naphthoquinone (CAS 20490-42-0) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trimethylnaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2,3,6-trimethyl-, TM-NQ cpd, 2,3,6-Trimethylnaphthoquinone, 2,3,6-trimethylnaphthalene-1,4-dione, starbld0044932
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 20490-42-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)C)C |
| InChIKey | LWWOWQZGAGVVEU-UHFFFAOYSA-N |
Product Overview
2,3,6-Trimethyl-1,4-naphthoquinone (CAS 20490-42-0), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: 2,3,6-trimethylnaphthalene-1,4-dione.
Chemical Property Profile of 2,3,6-Trimethyl-1,4-naphthoquinone
Property Insights of 2,3,6-Trimethyl-1,4-naphthoquinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trimethyl-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3,6-Trimethyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trimethyl-1,4-naphthoquinone has 0 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 2,3,6-Trimethyl-1,4-naphthoquinone?
The CAS number of 2,3,6-Trimethyl-1,4-naphthoquinone is 20490-42-0.
What is the molecular formula of 2,3,6-Trimethyl-1,4-naphthoquinone?
The molecular formula of 2,3,6-Trimethyl-1,4-naphthoquinone is C13H12O2.
What is the molecular weight of 2,3,6-Trimethyl-1,4-naphthoquinone?
The molecular weight of 2,3,6-Trimethyl-1,4-naphthoquinone is 200.08 g/mol.
Where can I buy 2,3,6-Trimethyl-1,4-naphthoquinone?
You can request a quote for 2,3,6-Trimethyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trimethyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trimethyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.