2,4-D, isopentyl ester
TL;DR: 2,4-D, isopentyl ester (CAS 78558-98-2) is a chemical compound with molecular formula C13H16Cl2O3 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: 2,4-D, isopentyl ester, 3-methylbutyl(2,4-dichlorophenoxy)acetate, 3-methylbutyl 2-(2,4-dichlorophenoxy)acetate, 3-methylbutyl 2,4-dichloro-phenoxyacetate, 3-Methylbutyl (2,4-dichlorophenoxy)acetate
| Molecular Formula | C13H16Cl2O3 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.04764 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 78558-98-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | POODQSZNUBKSCT-UHFFFAOYSA-N |
Product Overview
2,4-D, isopentyl ester (CAS 78558-98-2), with molecular formula C13H16Cl2O3 and molecular weight 290.05 g/mol. IUPAC: 3-methylbutyl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 2,4-D, isopentyl ester
Property Insights of 2,4-D, isopentyl ester
The XLogP value of 4.8 indicates that 2,4-D, isopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4-D, isopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-D, isopentyl ester has 0 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 2,4-D, isopentyl ester?
The CAS number of 2,4-D, isopentyl ester is 78558-98-2.
What is the molecular formula of 2,4-D, isopentyl ester?
The molecular formula of 2,4-D, isopentyl ester is C13H16Cl2O3.
What is the molecular weight of 2,4-D, isopentyl ester?
The molecular weight of 2,4-D, isopentyl ester is 290.05 g/mol.
Where can I buy 2,4-D, isopentyl ester?
You can request a quote for 2,4-D, isopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-D, isopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-D, isopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.