4-(2,4-二氯苯氧基)丁酸
TL;DR: 4-(2,4-二氯苯氧基)丁酸 (CAS 94-82-6) is a chemical compound with molecular formula C10H10Cl2O3 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-二氯苯氧基)丁酸
4-(2,4-dichlorophenoxy)butanoic acid
Also Known As: 4-(2,4-Dichlorophenoxy)butanoic acid, Butyrac, Butoxone, Butirex, Legumex D
| Molecular Formula | C10H10Cl2O3 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.0007 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
| Melting Point | 118-120 °C |
| Solubility | Water solubility: 46 ppm at 25 °C. |
| Vapor Pressure | 0.0000111 [mmHg] |
Chemical Identifiers
| CAS Number | 94-82-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O |
| InChIKey | YIVXMZJTEQBPQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,4-二氯苯氧基)丁酸 (CAS 94-82-6), with molecular formula C10H10Cl2O3 and molecular weight 248.00 g/mol. IUPAC: 4-(2,4-dichlorophenoxy)butanoic acid.
Chemical Property Profile of 4-(2,4-二氯苯氧基)丁酸
Property Insights of 4-(2,4-二氯苯氧基)丁酸
The XLogP value of 3.5 indicates that 4-(2,4-二氯苯氧基)丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(2,4-二氯苯氧基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-二氯苯氧基)丁酸 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 4-(2,4-二氯苯氧基)丁酸?
The CAS number of 4-(2,4-二氯苯氧基)丁酸 is 94-82-6.
What is the molecular formula of 4-(2,4-二氯苯氧基)丁酸?
The molecular formula of 4-(2,4-二氯苯氧基)丁酸 is C10H10Cl2O3.
What is the molecular weight of 4-(2,4-二氯苯氧基)丁酸?
The molecular weight of 4-(2,4-二氯苯氧基)丁酸 is 248.00 g/mol.
Where can I buy 4-(2,4-二氯苯氧基)丁酸?
You can request a quote for 4-(2,4-二氯苯氧基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-二氯苯氧基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-二氯苯氧基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.