1,2,3,4-Tetrahydro-1,4-ethanonaphthalene
TL;DR: 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene (CAS 4175-52-4) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
Also Known As: Benzobicyclo[2.2.2]octene, 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene, 1,4-Ethanonaphthalene, 1,2,3,4-tetrahydro-, tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 4175-52-4 |
|---|---|
| SMILES | C1CC2CCC1C3=CC=CC=C23 |
| InChIKey | ORCQJRXQASSNAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-1,4-ethanonaphthalene (CAS 4175-52-4), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: tricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene
Property Insights of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene
The XLogP value of 3.7 indicates that 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene 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 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene?
The CAS number of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene is 4175-52-4.
What is the molecular formula of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene?
The molecular formula of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene is C12H14.
What is the molecular weight of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene?
The molecular weight of 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene is 158.11 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene?
You can request a quote for 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1,4-ethanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.