2-Isopropylnaphthalene
TL;DR: 2-Isopropylnaphthalene (CAS 2027-17-0) 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.
2-propan-2-ylnaphthalene
Also Known As: 2-ISOPROPYLNAPHTHALENE, 2-iso-Propylnaphthalene, Naphthalene, 2-(1-methylethyl)-, Naphthalene, 2-isopropyl-, 2-propan-2-ylnaphthalene
| Molecular Formula | C13H14 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.10954 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| Melting Point | 14.5 °C |
| Boiling Point | 268.2 °C |
| Density | 0.9753 @ 20 °C |
| Solubility | Insoluble in water; very soluble in ethanol, ethyl ether; soluble in benzene. |
| Flash Point | 122 °C |
| Vapor Pressure | 0.00518 [mmHg] |
| Refractive Index | Indx of refraction: 1.5848 @ 20 °C |
Chemical Identifiers
| CAS Number | 2027-17-0 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=CC=C2C=C1 |
| InChIKey | TVYVQNHYIHAJTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropylnaphthalene (CAS 2027-17-0), with molecular formula C13H14 and molecular weight 170.11 g/mol. IUPAC: 2-propan-2-ylnaphthalene.
Chemical Property Profile of 2-Isopropylnaphthalene
Property Insights of 2-Isopropylnaphthalene
The XLogP value of 4.6 indicates that 2-Isopropylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Isopropylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylnaphthalene 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 2-Isopropylnaphthalene?
The CAS number of 2-Isopropylnaphthalene is 2027-17-0.
What is the molecular formula of 2-Isopropylnaphthalene?
The molecular formula of 2-Isopropylnaphthalene is C13H14.
What is the molecular weight of 2-Isopropylnaphthalene?
The molecular weight of 2-Isopropylnaphthalene is 170.11 g/mol.
Where can I buy 2-Isopropylnaphthalene?
You can request a quote for 2-Isopropylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.