3-(二氯甲基)-2,4,4-三氯-2-丁烯酸
TL;DR: 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 (CAS 97055-37-3) is a chemical compound with molecular formula C5H3Cl5O2 and molecular weight 269.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(二氯甲基)-2,4,4-三氯-2-丁烯酸
2,4,4-trichloro-3-(dichloromethyl)but-2-enoic acid
Also Known As: 3-(Dichloromethyl)-2,4,4-trichloro-2-butenoic acid, 2,4,4-Trichloro-3-dichloromethylbutenoic acid, 2,4,4-trichloro-3-(dichloromethyl)but-2-enoic acid, 2-BUTENOIC ACID, 3-(DICHLOROMETHYL)-2,4,4-TRICHLORO-, 2-Butenoic acid, 2,4,4-trichloro-3-(dichloromethyl)-
| Molecular Formula | C5H3Cl5O2 |
|---|---|
| Molecular Weight | 269.86 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.8546 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 97055-37-3 |
|---|---|
| SMILES | C(C(=C(C(=O)O)Cl)C(Cl)Cl)(Cl)Cl |
| InChIKey | FAVRSRCRWWCBIQ-UHFFFAOYSA-N |
Product Overview
3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 (CAS 97055-37-3), with molecular formula C5H3Cl5O2 and molecular weight 269.86 g/mol. IUPAC: 2,4,4-trichloro-3-(dichloromethyl)but-2-enoic acid.
Chemical Property Profile of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸
Property Insights of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸
The XLogP value of 3.6 indicates that 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 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 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸?
The CAS number of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 is 97055-37-3.
What is the molecular formula of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸?
The molecular formula of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 is C5H3Cl5O2.
What is the molecular weight of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸?
The molecular weight of 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 is 269.86 g/mol.
Where can I buy 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸?
You can request a quote for 3-(二氯甲基)-2,4,4-三氯-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 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(二氯甲基)-2,4,4-三氯-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.