Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester
TL;DR: Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester (CAS 61792-07-2) is a chemical compound with molecular formula C12H13Cl3O3 and molecular weight 309.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-T esters, butan-2-yl2- acetate, 2,4,5-T sec-butyl ester, butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate, 2,4,5-T, sec-butyl ester
| Molecular Formula | C12H13Cl3O3 |
|---|---|
| Molecular Weight | 309.99 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.99304 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 61792-07-2 |
|---|---|
| SMILES | CCC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | KOCPUBZALOBLTB-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester (CAS 61792-07-2), with molecular formula C12H13Cl3O3 and molecular weight 309.99 g/mol. IUPAC: butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester
Property Insights of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester
The XLogP value of 5.0 indicates that Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl 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, Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl 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 Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester?
The CAS number of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester is 61792-07-2.
What is the molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester?
The molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester is C12H13Cl3O3.
What is the molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester?
The molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester is 309.99 g/mol.
Where can I buy Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester?
You can request a quote for Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.