3-Phenyldecane
TL;DR: 3-Phenyldecane (CAS 4621-36-7) is a chemical compound with molecular formula C16H26 and molecular weight 218.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decan-3-ylbenzene
Also Known As: 3-Phenyldecane, decan-3-ylbenzene, (decan-3-yl)benzene, Benzene, (1-ethyloctyl)-, Decane, 3-phenyl-
| Molecular Formula | C16H26 |
|---|---|
| Molecular Weight | 218.20 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.20345 |
| Heavy Atoms | 16 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4621-36-7 |
|---|---|
| SMILES | CCCCCCCC(CC)C1=CC=CC=C1 |
| InChIKey | PYVIFMPVFLOTLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyldecane (CAS 4621-36-7), with molecular formula C16H26 and molecular weight 218.20 g/mol. IUPAC: decan-3-ylbenzene.
Chemical Property Profile of 3-Phenyldecane
Property Insights of 3-Phenyldecane
The XLogP value of 6.8 indicates that 3-Phenyldecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Phenyldecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyldecane 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 3-Phenyldecane?
The CAS number of 3-Phenyldecane is 4621-36-7.
What is the molecular formula of 3-Phenyldecane?
The molecular formula of 3-Phenyldecane is C16H26.
What is the molecular weight of 3-Phenyldecane?
The molecular weight of 3-Phenyldecane is 218.20 g/mol.
Where can I buy 3-Phenyldecane?
You can request a quote for 3-Phenyldecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyldecane?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyldecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.