2甲4氯
TL;DR: 2甲4氯 (CAS 94-74-6) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2甲4氯
2-(4-chloro-2-methylphenoxy)acetic acid
Also Known As: MCPA, Agroxone, Zelan, Methoxone, Mephanac
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| Melting Point | 118-119 °C |
| Density | 1.56 @ 25 °C/15.5 °C |
| Solubility | Solubility: in water 270 g/l, methanol 340 g/l, benzene 1 g/l /2-Methyl-4-chlorophenoxyacetic acid sodium salt/ |
| Vapor Pressure | 0.0000059 [mmHg] |
Chemical Identifiers
| CAS Number | 94-74-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O |
| InChIKey | WHKUVVPPKQRRBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2甲4氯 (CAS 94-74-6), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)acetic acid.
Chemical Property Profile of 2甲4氯
Property Insights of 2甲4氯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2甲4氯. With a topological polar surface area (TPSA) of 46.5 Ų, 2甲4氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2甲4氯 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 2甲4氯?
The CAS number of 2甲4氯 is 94-74-6.
What is the molecular formula of 2甲4氯?
The molecular formula of 2甲4氯 is C9H9ClO3.
What is the molecular weight of 2甲4氯?
The molecular weight of 2甲4氯 is 200.02 g/mol.
Where can I buy 2甲4氯?
You can request a quote for 2甲4氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2甲4氯?
Yes, KEHONG BIO provides custom synthesis services for 2甲4氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.