1,5-Dimethyltetralin
TL;DR: 1,5-Dimethyltetralin (CAS 21564-91-0) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-1,2,3,4-tetrahydronaphthalene
Also Known As: 1,5-Dimethyltetralin, 1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene, 1,5-Dimethyltetraline, 1,2,3,4-Tetrahydro-1,5-dimethylnaphthalene, 2-Chloro-5-iodobenzotrifluoride
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 21564-91-0 |
|---|---|
| SMILES | CC1CCCC2=C(C=CC=C12)C |
| InChIKey | BMADLDGHUBLVMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyltetralin (CAS 21564-91-0), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 1,5-dimethyl-1,2,3,4-tetrahydronaphthalene.
Chemical Property Profile of 1,5-Dimethyltetralin
Property Insights of 1,5-Dimethyltetralin
The XLogP value of 4.0 indicates that 1,5-Dimethyltetralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Dimethyltetralin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyltetralin 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 1,5-Dimethyltetralin?
The CAS number of 1,5-Dimethyltetralin is 21564-91-0.
What is the molecular formula of 1,5-Dimethyltetralin?
The molecular formula of 1,5-Dimethyltetralin is C12H16.
What is the molecular weight of 1,5-Dimethyltetralin?
The molecular weight of 1,5-Dimethyltetralin is 160.13 g/mol.
Where can I buy 1,5-Dimethyltetralin?
You can request a quote for 1,5-Dimethyltetralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyltetralin?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyltetralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.