MCPA-2-ethylhexyl
TL;DR: MCPA-2-ethylhexyl (CAS 29450-45-1) is a chemical compound with molecular formula C17H25ClO3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-2-ethylhexyl, MCPA-2-ethylhexyl ester, mcpa 2-ethylhexyl ester, MCPA-etexyl, MCPA ESTER 4
| Molecular Formula | C17H25ClO3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.14923 |
| Heavy Atoms | 21 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 29450-45-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | IDGRPSMONFWWEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-2-ethylhexyl (CAS 29450-45-1), with molecular formula C17H25ClO3 and molecular weight 312.15 g/mol. IUPAC: 2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of MCPA-2-ethylhexyl
Property Insights of MCPA-2-ethylhexyl
The XLogP value of 5.9 indicates that MCPA-2-ethylhexyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, MCPA-2-ethylhexyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-2-ethylhexyl has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MCPA-2-ethylhexyl?
The CAS number of MCPA-2-ethylhexyl is 29450-45-1.
What is the molecular formula of MCPA-2-ethylhexyl?
The molecular formula of MCPA-2-ethylhexyl is C17H25ClO3.
What is the molecular weight of MCPA-2-ethylhexyl?
The molecular weight of MCPA-2-ethylhexyl is 312.15 g/mol.
Where can I buy MCPA-2-ethylhexyl?
You can request a quote for MCPA-2-ethylhexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-2-ethylhexyl?
Yes, KEHONG BIO provides custom synthesis services for MCPA-2-ethylhexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.