1,4-二甲基萘
TL;DR: 1,4-二甲基萘 (CAS 571-58-4) 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.
1,4-二甲基萘
1,4-dimethylnaphthalene
Also Known As: 1,4-DIMETHYLNAPHTHALENE, Naphthalene, 1,4-dimethyl-, 1,4-Dimethylnapthalene, 1,4-dimethyl-naphthalene, 1,4-Sight
| 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 | 132.0 |
| Vapor Pressure | 0.0084 [mmHg] |
Chemical Identifiers
| CAS Number | 571-58-4 |
|---|---|
| SMILES | CC1=CC=C(C2=CC=CC=C12)C |
| InChIKey | APQSQLNWAIULLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二甲基萘 (CAS 571-58-4), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: 1,4-dimethylnaphthalene.
Chemical Property Profile of 1,4-二甲基萘
Property Insights of 1,4-二甲基萘
The XLogP value of 4.4 indicates that 1,4-二甲基萘 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-二甲基萘 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二甲基萘 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 1,4-二甲基萘?
The CAS number of 1,4-二甲基萘 is 571-58-4.
What is the molecular formula of 1,4-二甲基萘?
The molecular formula of 1,4-二甲基萘 is C12H12.
What is the molecular weight of 1,4-二甲基萘?
The molecular weight of 1,4-二甲基萘 is 156.09 g/mol.
Where can I buy 1,4-二甲基萘?
You can request a quote for 1,4-二甲基萘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二甲基萘?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二甲基萘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.