2,4,4-三氯-3-(羟甲基)丁-2-烯酸
TL;DR: 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 (CAS 126572-78-9) is a chemical compound with molecular formula C5H5Cl3O3 and molecular weight 217.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-三氯-3-(羟甲基)丁-2-烯酸
2,4,4-trichloro-3-(hydroxymethyl)but-2-enoic acid
Also Known As: 2-Butenoic acid,2,4,4-trichloro-3-(hydroxymethyl)-, (2Z)-, (Z)-2-Chloro-3-(dichloromethyl)-4-hydroxybut-2-enoic acid, 2-Butenoic acid, 2-chloro-3-(dichloromethyl)-4-hydroxy-, (Z)-
| Molecular Formula | C5H5Cl3O3 |
|---|---|
| Molecular Weight | 217.93 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.93042 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 126572-78-9 |
|---|---|
| SMILES | C(C(=C(C(=O)O)Cl)C(Cl)Cl)O |
| InChIKey | SHGAIAGWDXHJHG-UHFFFAOYSA-N |
Product Overview
2,4,4-三氯-3-(羟甲基)丁-2-烯酸 (CAS 126572-78-9), with molecular formula C5H5Cl3O3 and molecular weight 217.93 g/mol. IUPAC: 2,4,4-trichloro-3-(hydroxymethyl)but-2-enoic acid.
Chemical Property Profile of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸
Property Insights of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-三氯-3-(羟甲基)丁-2-烯酸. With a topological polar surface area (TPSA) of 57.5 Ų, 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 has 2 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-(羟甲基)丁-2-烯酸?
The CAS number of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 is 126572-78-9.
What is the molecular formula of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸?
The molecular formula of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 is C5H5Cl3O3.
What is the molecular weight of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸?
The molecular weight of 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 is 217.93 g/mol.
Where can I buy 2,4,4-三氯-3-(羟甲基)丁-2-烯酸?
You can request a quote for 2,4,4-三氯-3-(羟甲基)丁-2-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-(羟甲基)丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-三氯-3-(羟甲基)丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.