2,7-Diisopropylnaphthalene
TL;DR: 2,7-Diisopropylnaphthalene (CAS 40458-98-8) is a chemical compound with molecular formula C16H20 and molecular weight 212.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-di(propan-2-yl)naphthalene
Also Known As: 2,7-Diisopropylnaphthalene, 2,7-Di-iso-propylnaphthalene, 2,7-di(propan-2-yl)naphthalene, Naphthalene, 2,7-bis(1-methylethyl)-, 2,7-bis(propan-2-yl)naphthalene
| Molecular Formula | C16H20 |
|---|---|
| Molecular Weight | 212.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.1565 |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 40458-98-8 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C=CC(=C2)C(C)C |
| InChIKey | YGDMAJYAQCDTNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-Diisopropylnaphthalene (CAS 40458-98-8), with molecular formula C16H20 and molecular weight 212.16 g/mol. IUPAC: 2,7-di(propan-2-yl)naphthalene.
Chemical Property Profile of 2,7-Diisopropylnaphthalene
Property Insights of 2,7-Diisopropylnaphthalene
The XLogP value of 5.8 indicates that 2,7-Diisopropylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,7-Diisopropylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Diisopropylnaphthalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,7-Diisopropylnaphthalene?
The CAS number of 2,7-Diisopropylnaphthalene is 40458-98-8.
What is the molecular formula of 2,7-Diisopropylnaphthalene?
The molecular formula of 2,7-Diisopropylnaphthalene is C16H20.
What is the molecular weight of 2,7-Diisopropylnaphthalene?
The molecular weight of 2,7-Diisopropylnaphthalene is 212.16 g/mol.
Where can I buy 2,7-Diisopropylnaphthalene?
You can request a quote for 2,7-Diisopropylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Diisopropylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Diisopropylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.