1,2,8-Trimethylnaphthalene
TL;DR: 1,2,8-Trimethylnaphthalene (CAS 3876-97-9) is a chemical compound with molecular formula C13H14 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,8-trimethylnaphthalene
Also Known As: 1,2,8-TRIMETHYLNAPHTHALENE, Naphthalene, 1,2,8-trimethyl-, 1,2,8-tri-methylnaphthalene, 223-401-4, EINECS 223-401-4
| Molecular Formula | C13H14 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.10954 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 3876-97-9 |
|---|---|
| SMILES | CC1=C2C(=C(C=CC2=CC=C1)C)C |
| InChIKey | BVGOHNFOXOLDAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,8-Trimethylnaphthalene (CAS 3876-97-9), with molecular formula C13H14 and molecular weight 170.11 g/mol. IUPAC: 1,2,8-trimethylnaphthalene.
Chemical Property Profile of 1,2,8-Trimethylnaphthalene
Property Insights of 1,2,8-Trimethylnaphthalene
The XLogP value of 4.3 indicates that 1,2,8-Trimethylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,8-Trimethylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,8-Trimethylnaphthalene has 0 hydrogen bond donor(s) and 0 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 1,2,8-Trimethylnaphthalene?
The CAS number of 1,2,8-Trimethylnaphthalene is 3876-97-9.
What is the molecular formula of 1,2,8-Trimethylnaphthalene?
The molecular formula of 1,2,8-Trimethylnaphthalene is C13H14.
What is the molecular weight of 1,2,8-Trimethylnaphthalene?
The molecular weight of 1,2,8-Trimethylnaphthalene is 170.11 g/mol.
Where can I buy 1,2,8-Trimethylnaphthalene?
You can request a quote for 1,2,8-Trimethylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,8-Trimethylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,8-Trimethylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.