3,4,4-Trichloro-3-butenal
TL;DR: 3,4,4-Trichloro-3-butenal (CAS 1085697-70-6) is a chemical compound with molecular formula C4H3Cl3O and molecular weight 171.92494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,4-trichlorobut-3-enal
Also Known As: 3,4,4-trichlorobut-3-enal, 3,4,4-Trichloro-3-butenal, 3-Butenal,3,4,4-trichloro-, 3-Butenal, 3,4,4-trichloro-, 3,4,4-Trichloro-3-butenal #
Technical Specifications
| Molecular Formula | C4H3Cl3O |
| Molecular Weight | 171.92494 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.92494 Da |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
| SMILES | C(C=O)C(=C(Cl)Cl)Cl |
| InChIKey | MOOVCLOCRWBFIZ-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,4-Trichloro-3-butenal
Property Insights of 3,4,4-Trichloro-3-butenal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trichloro-3-butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4,4-Trichloro-3-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trichloro-3-butenal 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
What is the CAS number of 3,4,4-Trichloro-3-butenal?
The CAS number of 3,4,4-Trichloro-3-butenal is 1085697-70-6.
What is the molecular formula of 3,4,4-Trichloro-3-butenal?
The molecular formula of 3,4,4-Trichloro-3-butenal is C4H3Cl3O.
What is the molecular weight of 3,4,4-Trichloro-3-butenal?
The molecular weight of 3,4,4-Trichloro-3-butenal is 171.92494 g/mol.
Where can I buy 3,4,4-Trichloro-3-butenal?
You can request a quote for 3,4,4-Trichloro-3-butenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,4-Trichloro-3-butenal?
Yes, CoreyChem provides custom synthesis services for 3,4,4-Trichloro-3-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.