sec-Butyldimethylnaphthalene
TL;DR: sec-Butyldimethylnaphthalene (CAS 85650-85-7) 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.
3-butan-2-yl-1,2-dimethylnaphthalene
Also Known As: sec-Butyldimethylnaphthalene, 3-butan-2-yl-1,2-dimethylnaphthalene, EINECS 288-095-7, C16-H20, 3-(Butan-2-yl)-1,2-dimethylnaphthalene
| Molecular Formula | C16H20 |
|---|---|
| Molecular Weight | 212.16 g/mol |
| LogP | 4.97014 |
| 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 | 508.6724 |
Chemical Identifiers
| CAS Number | 85650-85-7 |
|---|---|
| SMILES | CCC(C)C1=CC2=CC=CC=C2C(=C1C)C |
Product Overview
sec-Butyldimethylnaphthalene (CAS 85650-85-7), with molecular formula C16H20 and molecular weight 212.16 g/mol. IUPAC: 3-butan-2-yl-1,2-dimethylnaphthalene.
Chemical Property Profile of sec-Butyldimethylnaphthalene
Property Insights of sec-Butyldimethylnaphthalene
The XLogP value of 4.97014 indicates that sec-Butyldimethylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, sec-Butyldimethylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyldimethylnaphthalene 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 sec-Butyldimethylnaphthalene?
The CAS number of sec-Butyldimethylnaphthalene is 85650-85-7.
What is the molecular formula of sec-Butyldimethylnaphthalene?
The molecular formula of sec-Butyldimethylnaphthalene is C16H20.
What is the molecular weight of sec-Butyldimethylnaphthalene?
The molecular weight of sec-Butyldimethylnaphthalene is 212.16 g/mol.
Where can I buy sec-Butyldimethylnaphthalene?
You can request a quote for sec-Butyldimethylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyldimethylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyldimethylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.