delta-Patchoulene
TL;DR: delta-Patchoulene (CAS 53823-16-8) is a chemical compound with molecular formula C16H28 and molecular weight 220.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,8-trimethyl-2-(3-methylbutyl)bicyclo[3.2.1]oct-2-ene
Also Known As: .delta.-patchoulene, delta-Patchoulene, 5,8,8-trimethyl-4-(3-methylbutyl)bicyclo[3.2.1]oct-3-ene, RefChem:131685
| Molecular Formula | C16H28 |
|---|---|
| Molecular Weight | 220.22 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.2191 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 53823-16-8 |
|---|---|
| SMILES | CC(C)CCC1=CCC2CCC1(C2(C)C)C |
| InChIKey | BLLLUIMYYWMBGY-UHFFFAOYSA-N |
Product Overview
delta-Patchoulene (CAS 53823-16-8), with molecular formula C16H28 and molecular weight 220.22 g/mol. IUPAC: 1,8,8-trimethyl-2-(3-methylbutyl)bicyclo[3.2.1]oct-2-ene.
Chemical Property Profile of delta-Patchoulene
Property Insights of delta-Patchoulene
The XLogP value of 5.7 indicates that delta-Patchoulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, delta-Patchoulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, delta-Patchoulene 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 delta-Patchoulene?
The CAS number of delta-Patchoulene is 53823-16-8.
What is the molecular formula of delta-Patchoulene?
The molecular formula of delta-Patchoulene is C16H28.
What is the molecular weight of delta-Patchoulene?
The molecular weight of delta-Patchoulene is 220.22 g/mol.
Where can I buy delta-Patchoulene?
You can request a quote for delta-Patchoulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta-Patchoulene?
Yes, KEHONG BIO provides custom synthesis services for delta-Patchoulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.