1,3-Dimethylnaphthalene
TL;DR: 1,3-Dimethylnaphthalene (CAS 575-41-7) is a chemical compound with molecular formula C12H12 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylnaphthalene
Also Known As: 1,3-DIMETHYLNAPHTHALENE, Naphthalene, 1,3-dimethyl-, 13-Dimethylnaphthalene, 1,3-dimethyl-naphthalene, Naphthalene,3-dimethyl-
| Molecular Formula | C12H12 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0939 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Vapor Pressure | 0.0084 [mmHg] |
Chemical Identifiers
| CAS Number | 575-41-7 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=C1)C |
| InChIKey | QHJMFSMPSZREIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylnaphthalene (CAS 575-41-7), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: 1,3-dimethylnaphthalene.
Chemical Property Profile of 1,3-Dimethylnaphthalene
Property Insights of 1,3-Dimethylnaphthalene
The XLogP value of 4.4 indicates that 1,3-Dimethylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylnaphthalene 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 1,3-Dimethylnaphthalene?
The CAS number of 1,3-Dimethylnaphthalene is 575-41-7.
What is the molecular formula of 1,3-Dimethylnaphthalene?
The molecular formula of 1,3-Dimethylnaphthalene is C12H12.
What is the molecular weight of 1,3-Dimethylnaphthalene?
The molecular weight of 1,3-Dimethylnaphthalene is 156.09 g/mol.
Where can I buy 1,3-Dimethylnaphthalene?
You can request a quote for 1,3-Dimethylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.