MCPA-dimethylammonium
TL;DR: MCPA-dimethylammonium (CAS 2039-46-5) is a chemical compound with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)acetic acid;N-methylmethanamine
Also Known As: MCPA-dimethylammonium, Aminex, MCPA amine, MCPA dimethylamine salt, Caswell No. 557G
| Molecular Formula | C11H16ClNO3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.95 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08188 |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 2039-46-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O.CNC |
| InChIKey | PKAUICCNAWQPAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-dimethylammonium (CAS 2039-46-5), with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)acetic acid;N-methylmethanamine.
Chemical Property Profile of MCPA-dimethylammonium
Property Insights of MCPA-dimethylammonium
The XLogP value of 1.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MCPA-dimethylammonium. With a topological polar surface area (TPSA) of 58.6 Ų, MCPA-dimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-dimethylammonium has 2 hydrogen bond donor(s) and 4 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 MCPA-dimethylammonium?
The CAS number of MCPA-dimethylammonium is 2039-46-5.
What is the molecular formula of MCPA-dimethylammonium?
The molecular formula of MCPA-dimethylammonium is C11H16ClNO3.
What is the molecular weight of MCPA-dimethylammonium?
The molecular weight of MCPA-dimethylammonium is 245.08 g/mol.
Where can I buy MCPA-dimethylammonium?
You can request a quote for MCPA-dimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-dimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for MCPA-dimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.