2,4,4-三氯-3-甲酰基-2-丁烯酸
TL;DR: 2,4,4-三氯-3-甲酰基-2-丁烯酸 (CAS 135679-99-1) 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.
2,4,4-三氯-3-甲酰基-2-丁烯酸
2,4,4-trichloro-3-formylbut-2-enoic acid
Also Known As: Mutagen X, E-MX, Procolipase activation peptide, 2,4,4-trichloro-3-formylbut-2-enoic acid, 2-Butenoic acid, 2,4,4-trichloro-3-formyl-
| Molecular Formula | C5H3Cl3O3 |
|---|---|
| Molecular Weight | 215.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.91478 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 135679-99-1 |
|---|---|
| SMILES | C(=O)C(=C(C(=O)O)Cl)C(Cl)Cl |
| InChIKey | BYYQBAWEAGLGPF-UHFFFAOYSA-N |
Product Overview
2,4,4-三氯-3-甲酰基-2-丁烯酸 (CAS 135679-99-1), with molecular formula C5H3Cl3O3 and molecular weight 215.91 g/mol. IUPAC: 2,4,4-trichloro-3-formylbut-2-enoic acid.
Chemical Property Profile of 2,4,4-三氯-3-甲酰基-2-丁烯酸
Property Insights of 2,4,4-三氯-3-甲酰基-2-丁烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-三氯-3-甲酰基-2-丁烯酸. With a topological polar surface area (TPSA) of 54.4 Ų, 2,4,4-三氯-3-甲酰基-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-三氯-3-甲酰基-2-丁烯酸 has 1 hydrogen bond donor(s) and 3 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 2,4,4-三氯-3-甲酰基-2-丁烯酸?
The CAS number of 2,4,4-三氯-3-甲酰基-2-丁烯酸 is 135679-99-1.
What is the molecular formula of 2,4,4-三氯-3-甲酰基-2-丁烯酸?
The molecular formula of 2,4,4-三氯-3-甲酰基-2-丁烯酸 is C5H3Cl3O3.
What is the molecular weight of 2,4,4-三氯-3-甲酰基-2-丁烯酸?
The molecular weight of 2,4,4-三氯-3-甲酰基-2-丁烯酸 is 215.91 g/mol.
Where can I buy 2,4,4-三氯-3-甲酰基-2-丁烯酸?
You can request a quote for 2,4,4-三氯-3-甲酰基-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-三氯-3-甲酰基-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-三氯-3-甲酰基-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.