Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)
TL;DR: Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) (CAS 19480-39-8) is a chemical compound with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: Dikoteks AM, Dikoteks 40, Dikotex 40, Ammonium 4-chloro-2-methylphenoxyacetate, Ammonium ((4-chloro-o-tolyl)oxy)acetate
| Molecular Formula | C9H12ClNO3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 1.15 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05057 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 19480-39-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[NH4+] |
| InChIKey | PMPOPSWETLDYSC-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) (CAS 19480-39-8), with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol. IUPAC: azanium 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)
Property Insights of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)
The XLogP value of 1.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1). With a topological polar surface area (TPSA) of 50.4 Ų, Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) 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 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)?
The CAS number of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) is 19480-39-8.
What is the molecular formula of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)?
The molecular formula of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) is C9H12ClNO3.
What is the molecular weight of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)?
The molecular weight of Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) is 217.05 g/mol.
Where can I buy Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)?
You can request a quote for Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-chloro-2-methylphenoxy)-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.