Trichloro-2-cyclobuten-1-one
TL;DR: Trichloro-2-cyclobuten-1-one (CAS 78099-58-8) is a chemical compound with molecular formula C4HCl3O and molecular weight 169.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trichlorocyclobut-2-en-1-one
Also Known As: TRICHLORO-2-CYCLOBUTEN-1-ONE, 2,3,4-trichlorocyclobut-2-en-1-one, 2-Cyclobuten-1-one, 2,3,4-trichloro-
| Molecular Formula | C4HCl3O |
|---|---|
| Molecular Weight | 169.91 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.9093 |
| Heavy Atoms | 8 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 78099-58-8 |
|---|---|
| SMILES | C1(C(=C(C1=O)Cl)Cl)Cl |
| InChIKey | IAFSBPAKGGVODH-UHFFFAOYSA-N |
Product Overview
Trichloro-2-cyclobuten-1-one (CAS 78099-58-8), with molecular formula C4HCl3O and molecular weight 169.91 g/mol. IUPAC: 2,3,4-trichlorocyclobut-2-en-1-one.
Chemical Property Profile of Trichloro-2-cyclobuten-1-one
Property Insights of Trichloro-2-cyclobuten-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichloro-2-cyclobuten-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, Trichloro-2-cyclobuten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloro-2-cyclobuten-1-one has 0 hydrogen bond donor(s) and 1 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 Trichloro-2-cyclobuten-1-one?
The CAS number of Trichloro-2-cyclobuten-1-one is 78099-58-8.
What is the molecular formula of Trichloro-2-cyclobuten-1-one?
The molecular formula of Trichloro-2-cyclobuten-1-one is C4HCl3O.
What is the molecular weight of Trichloro-2-cyclobuten-1-one?
The molecular weight of Trichloro-2-cyclobuten-1-one is 169.91 g/mol.
Where can I buy Trichloro-2-cyclobuten-1-one?
You can request a quote for Trichloro-2-cyclobuten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloro-2-cyclobuten-1-one?
Yes, KEHONG BIO provides custom synthesis services for Trichloro-2-cyclobuten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.