1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
TL;DR: 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- (CAS 59782-63-7) is a chemical compound with molecular formula C28H50OS and molecular weight 434.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-5-tridecylthiophen-2-yl)decan-1-one
Also Known As: 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-, 1-(4-Methyl-5-tridecyl-2-thienyl)-1-decanone, 1-(4-methyl-5-tridecylthiophen-2-yl)decan-1-one, 1-(4-Methyl-5-tridecyl-2-thienyl)-1-decanone #
| Molecular Formula | C28H50OS |
|---|---|
| Molecular Weight | 434.36 g/mol |
| LogP | 12.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 434.35825 |
| Heavy Atoms | 30 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 59782-63-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCC1=C(C=C(S1)C(=O)CCCCCCCCC)C |
| InChIKey | ZPVGGMUHWJKJKW-UHFFFAOYSA-N |
Product Overview
1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- (CAS 59782-63-7), with molecular formula C28H50OS and molecular weight 434.36 g/mol. IUPAC: 1-(4-methyl-5-tridecylthiophen-2-yl)decan-1-one.
Chemical Property Profile of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
Property Insights of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
The XLogP value of 12.7 indicates that 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- 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 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-?
The CAS number of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- is 59782-63-7.
What is the molecular formula of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-?
The molecular formula of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- is C28H50OS.
What is the molecular weight of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-?
The molecular weight of 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- is 434.36 g/mol.
Where can I buy 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-?
You can request a quote for 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.