(4-氯苯氧基)乙酸
TL;DR: (4-氯苯氧基)乙酸 (CAS 122-88-3) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-氯苯氧基)乙酸
2-(4-chlorophenoxy)acetic acid
Also Known As: 4-CHLOROPHENOXYACETIC ACID, 2-(4-chlorophenoxy)acetic acid, Tomatotone, (4-Chlorophenoxy)acetic acid, 4-CPA
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| Melting Point | 156.5 °C |
| Solubility | In water, 957 mg/L at 25 °C |
| Vapor Pressure | 0.000318 [mmHg] |
Chemical Identifiers
| CAS Number | 122-88-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)Cl |
| InChIKey | SODPIMGUZLOIPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-氯苯氧基)乙酸 (CAS 122-88-3), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(4-chlorophenoxy)acetic acid.
Chemical Property Profile of (4-氯苯氧基)乙酸
Property Insights of (4-氯苯氧基)乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-氯苯氧基)乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, (4-氯苯氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-氯苯氧基)乙酸 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-氯苯氧基)乙酸?
The CAS number of (4-氯苯氧基)乙酸 is 122-88-3.
What is the molecular formula of (4-氯苯氧基)乙酸?
The molecular formula of (4-氯苯氧基)乙酸 is C8H7ClO3.
What is the molecular weight of (4-氯苯氧基)乙酸?
The molecular weight of (4-氯苯氧基)乙酸 is 186.01 g/mol.
Where can I buy (4-氯苯氧基)乙酸?
You can request a quote for (4-氯苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-氯苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (4-氯苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.