3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-
TL;DR: 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- (CAS 99165-94-3) is a chemical compound with molecular formula C5H2Cl4O3 and molecular weight 249.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3,4,5,5-tetrachloro-2-oxopent-3-enoic acid
Also Known As: 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-, TETRACHLORO-2-OXO-3-PENTENOIC ACID, 3-Pentenoic acid, 5,5,5,?-tetrachloro-2-oxo-, J1.598.072I, 3,4,5,5-tetrachloro-2-oxopent-3-enoic acid
| Molecular Formula | C5H2Cl4O3 |
|---|---|
| Molecular Weight | 249.88 g/mol |
| LogP | 2.133 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.87581 |
| Heavy Atoms | 12 |
| Complexity | 245.07788 |
Chemical Identifiers
| CAS Number | 99165-94-3 |
|---|---|
| SMILES | C(/C(=C(/C(=O)C(=O)O)\Cl)/Cl)(Cl)Cl |
Product Overview
3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- (CAS 99165-94-3), with molecular formula C5H2Cl4O3 and molecular weight 249.88 g/mol. IUPAC: (E)-3,4,5,5-tetrachloro-2-oxopent-3-enoic acid.
Chemical Property Profile of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-
Property Insights of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-
The XLogP value of 2.133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- has 1 hydrogen bond donor(s) and 2 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 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-?
The CAS number of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- is 99165-94-3.
What is the molecular formula of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-?
The molecular formula of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- is C5H2Cl4O3.
What is the molecular weight of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-?
The molecular weight of 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- is 249.88 g/mol.
Where can I buy 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-?
You can request a quote for 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenoic acid, 3,4,5,5-tetrachloro-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.