2-Octyl-1,3-cyclotetradecanedione
TL;DR: 2-Octyl-1,3-cyclotetradecanedione (CAS 29653-06-3) is a chemical compound with molecular formula C22H40O2 and molecular weight 336.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylcyclotetradecane-1,3-dione
Also Known As: 2-Octyl-1,3-cyclotetradecanedione, 2-octylcyclotetradecane-1,3-dione, 1,3-Cyclotetradecanedione, 2-octyl-, 2-Octyl-1,3-cyclotetradecanedione #, RefChem:264505
| Molecular Formula | C22H40O2 |
|---|---|
| Molecular Weight | 336.30 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.30283 |
| Heavy Atoms | 24 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 29653-06-3 |
|---|---|
| SMILES | CCCCCCCCC1C(=O)CCCCCCCCCCCC1=O |
| InChIKey | MKUADOOXPJUVMJ-UHFFFAOYSA-N |
Product Overview
2-Octyl-1,3-cyclotetradecanedione (CAS 29653-06-3), with molecular formula C22H40O2 and molecular weight 336.30 g/mol. IUPAC: 2-octylcyclotetradecane-1,3-dione.
Chemical Property Profile of 2-Octyl-1,3-cyclotetradecanedione
Property Insights of 2-Octyl-1,3-cyclotetradecanedione
The XLogP value of 8.3 indicates that 2-Octyl-1,3-cyclotetradecanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Octyl-1,3-cyclotetradecanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyl-1,3-cyclotetradecanedione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octyl-1,3-cyclotetradecanedione?
The CAS number of 2-Octyl-1,3-cyclotetradecanedione is 29653-06-3.
What is the molecular formula of 2-Octyl-1,3-cyclotetradecanedione?
The molecular formula of 2-Octyl-1,3-cyclotetradecanedione is C22H40O2.
What is the molecular weight of 2-Octyl-1,3-cyclotetradecanedione?
The molecular weight of 2-Octyl-1,3-cyclotetradecanedione is 336.30 g/mol.
Where can I buy 2-Octyl-1,3-cyclotetradecanedione?
You can request a quote for 2-Octyl-1,3-cyclotetradecanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl-1,3-cyclotetradecanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl-1,3-cyclotetradecanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.