4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione
TL;DR: 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione (CAS 35847-04-2) is a chemical compound with molecular formula C8H5Cl3O2S and molecular weight 269.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-1-thiophen-2-ylbutane-1,3-dione
Also Known As: 4,4,4-trichloro-1-(thiophen-2-yl)butane-1,3-dione, J2.513.534B, 4,4,4-trichloro-1-(2-thienyl)butane-1,3dione, 1-(2-Thienyl)-4,4,4-trichloro-1,3-butanedione, 4,4,4-trichloro-1-(2-thienyl)butane-1,3-dione
| Molecular Formula | C8H5Cl3O2S |
|---|---|
| Molecular Weight | 269.91 g/mol |
| LogP | 3.2602 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.9076 |
| Heavy Atoms | 14 |
| Complexity | 339.9684 |
Chemical Identifiers
| CAS Number | 35847-04-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC(=O)C(Cl)(Cl)Cl |
Product Overview
4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione (CAS 35847-04-2), with molecular formula C8H5Cl3O2S and molecular weight 269.91 g/mol. IUPAC: 4,4,4-trichloro-1-thiophen-2-ylbutane-1,3-dione.
Chemical Property Profile of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione
Property Insights of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione
The XLogP value of 3.2602 indicates that 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-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, 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione?
The CAS number of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione is 35847-04-2.
What is the molecular formula of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione?
The molecular formula of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione is C8H5Cl3O2S.
What is the molecular weight of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione?
The molecular weight of 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione is 269.91 g/mol.
Where can I buy 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione?
You can request a quote for 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-1-(thiophen-2-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.