4,4-二氯-3-(二氯甲基)丁-2-烯酸
TL;DR: 4,4-二氯-3-(二氯甲基)丁-2-烯酸 (CAS 112309-62-3) is a chemical compound with molecular formula C5H4Cl4O2 and molecular weight 235.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二氯-3-(二氯甲基)丁-2-烯酸
4,4-dichloro-3-(dichloromethyl)but-2-enoic acid
Also Known As: 3-Dichloromethyl-4,4-dichlorobutenoic acid, 3-(Dichloromethyl)-4,4-dichloro-2-butenoic acid, 4,4-dichloro-3-(dichloromethyl)but-2-enoic acid, 2-BUTENOIC ACID, 4,4-DICHLORO-3-(DICHLOROMETHYL)-, 4,4-DICHLORO-3-(DICHLOROMETHYL)-2-BUTENOIC ACID
| Molecular Formula | C5H4Cl4O2 |
|---|---|
| Molecular Weight | 235.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.89359 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 112309-62-3 |
|---|---|
| SMILES | C(=C(C(Cl)Cl)C(Cl)Cl)C(=O)O |
| InChIKey | CIYFDLXPMQTVEI-UHFFFAOYSA-N |
Product Overview
4,4-二氯-3-(二氯甲基)丁-2-烯酸 (CAS 112309-62-3), with molecular formula C5H4Cl4O2 and molecular weight 235.90 g/mol. IUPAC: 4,4-dichloro-3-(dichloromethyl)but-2-enoic acid.
Chemical Property Profile of 4,4-二氯-3-(二氯甲基)丁-2-烯酸
Property Insights of 4,4-二氯-3-(二氯甲基)丁-2-烯酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-二氯-3-(二氯甲基)丁-2-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4-二氯-3-(二氯甲基)丁-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-二氯-3-(二氯甲基)丁-2-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 4,4-二氯-3-(二氯甲基)丁-2-烯酸?
The CAS number of 4,4-二氯-3-(二氯甲基)丁-2-烯酸 is 112309-62-3.
What is the molecular formula of 4,4-二氯-3-(二氯甲基)丁-2-烯酸?
The molecular formula of 4,4-二氯-3-(二氯甲基)丁-2-烯酸 is C5H4Cl4O2.
What is the molecular weight of 4,4-二氯-3-(二氯甲基)丁-2-烯酸?
The molecular weight of 4,4-二氯-3-(二氯甲基)丁-2-烯酸 is 235.90 g/mol.
Where can I buy 4,4-二氯-3-(二氯甲基)丁-2-烯酸?
You can request a quote for 4,4-二氯-3-(二氯甲基)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 4,4-二氯-3-(二氯甲基)丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二氯-3-(二氯甲基)丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.