2,4,4,4-四氯丁-2-烯醛
TL;DR: 2,4,4,4-四氯丁-2-烯醛 (CAS 19429-51-7) is a chemical compound with molecular formula C4H2Cl4O and molecular weight 205.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,4-四氯丁-2-烯醛
2,4,4,4-tetrachlorobut-2-enal
Also Known As: 2,4,4,4-tetrachlorobut-2-enal, 2,4,4,4-Tetrachloro-2-butenal, (E)-2,4,4,4-tetrachlorobut-2-enal, EINECS 243-052-1
| Molecular Formula | C4H2Cl4O |
|---|---|
| Molecular Weight | 205.89 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.88303 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 19429-51-7 |
|---|---|
| SMILES | C(=C(C=O)Cl)C(Cl)(Cl)Cl |
| InChIKey | SBJGGOPLEWSLBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4,4-四氯丁-2-烯醛 (CAS 19429-51-7), with molecular formula C4H2Cl4O and molecular weight 205.89 g/mol. IUPAC: 2,4,4,4-tetrachlorobut-2-enal.
Chemical Property Profile of 2,4,4,4-四氯丁-2-烯醛
Property Insights of 2,4,4,4-四氯丁-2-烯醛
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4,4-四氯丁-2-烯醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,4,4-四氯丁-2-烯醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,4-四氯丁-2-烯醛 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 2,4,4,4-四氯丁-2-烯醛?
The CAS number of 2,4,4,4-四氯丁-2-烯醛 is 19429-51-7.
What is the molecular formula of 2,4,4,4-四氯丁-2-烯醛?
The molecular formula of 2,4,4,4-四氯丁-2-烯醛 is C4H2Cl4O.
What is the molecular weight of 2,4,4,4-四氯丁-2-烯醛?
The molecular weight of 2,4,4,4-四氯丁-2-烯醛 is 205.89 g/mol.
Where can I buy 2,4,4,4-四氯丁-2-烯醛?
You can request a quote for 2,4,4,4-四氯丁-2-烯醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4,4-四氯丁-2-烯醛?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,4-四氯丁-2-烯醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.