1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione
TL;DR: 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione (CAS 69060-69-1) is a chemical compound with molecular formula C16H12Cl6O2S2 and molecular weight 509.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione
Also Known As: 1,8-bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione
| Molecular Formula | C16H12Cl6O2S2 |
|---|---|
| Molecular Weight | 509.84 g/mol |
| LogP | 9.1362 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.84097 |
| Heavy Atoms | 26 |
| Complexity | 759.057 |
Chemical Identifiers
| CAS Number | 69060-69-1 |
|---|---|
| SMILES | C(CCCC(=O)C1=C(C(=C(S1)Cl)Cl)Cl)CCC(=O)C2=C(C(=C(S2)Cl)Cl)Cl |
Product Overview
1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione (CAS 69060-69-1), with molecular formula C16H12Cl6O2S2 and molecular weight 509.84 g/mol. IUPAC: 1,8-bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione.
Chemical Property Profile of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione
Property Insights of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione
The XLogP value of 9.1362 indicates that 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione?
The CAS number of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione is 69060-69-1.
What is the molecular formula of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione?
The molecular formula of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione is C16H12Cl6O2S2.
What is the molecular weight of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione?
The molecular weight of 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione is 509.84 g/mol.
Where can I buy 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione?
You can request a quote for 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Bis(3,4,5-trichlorothiophen-2-yl)octane-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.