(E)-3,4,5-trichloro-2-oxopent-3-enoic acid
TL;DR: (E)-3,4,5-trichloro-2-oxopent-3-enoic acid (CAS 99165-90-9) is a chemical compound with molecular formula C5H3Cl3O3 and molecular weight 215.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3,4,5-trichloro-2-oxopent-3-enoic acid
Also Known As: 3-Pentenoic acid, 5,5,?-trichloro-2-oxo-, TRICHLORO-2-OXO-3-PENTENOIC ACID, (E)-3,4,5-trichloro-2-oxopent-3-enoic acid
| Molecular Formula | C5H3Cl3O3 |
|---|---|
| Molecular Weight | 215.91 g/mol |
| LogP | 1.5681 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.91478 |
| Heavy Atoms | 11 |
| Complexity | 221.01253 |
Chemical Identifiers
| CAS Number | 99165-90-9 |
|---|---|
| SMILES | C(/C(=C(/C(=O)C(=O)O)\Cl)/Cl)Cl |
Product Overview
(E)-3,4,5-trichloro-2-oxopent-3-enoic acid (CAS 99165-90-9), with molecular formula C5H3Cl3O3 and molecular weight 215.91 g/mol. IUPAC: (E)-3,4,5-trichloro-2-oxopent-3-enoic acid.
Chemical Property Profile of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid
Property Insights of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid
The XLogP value of 1.5681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3,4,5-trichloro-2-oxopent-3-enoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (E)-3,4,5-trichloro-2-oxopent-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3,4,5-trichloro-2-oxopent-3-enoic acid 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 (E)-3,4,5-trichloro-2-oxopent-3-enoic acid?
The CAS number of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid is 99165-90-9.
What is the molecular formula of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid?
The molecular formula of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid is C5H3Cl3O3.
What is the molecular weight of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid?
The molecular weight of (E)-3,4,5-trichloro-2-oxopent-3-enoic acid is 215.91 g/mol.
Where can I buy (E)-3,4,5-trichloro-2-oxopent-3-enoic acid?
You can request a quote for (E)-3,4,5-trichloro-2-oxopent-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3,4,5-trichloro-2-oxopent-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3,4,5-trichloro-2-oxopent-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.