4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate
TL;DR: 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate (CAS 40583-17-3) is a chemical compound with molecular formula C12H13Cl3O4 and molecular weight 325.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate, EINECS 254-982-2, 4-hydroxybutyl 2-(2,4,5-trichlorophenoxy)acetate, (2,4,5-Trichlorophenoxy)acetic acid 4-hydroxybutyl ester, (2,4,5-Trichlorophenoxy)acetic acid, monobutylene glycol ester
| Molecular Formula | C12H13Cl3O4 |
|---|---|
| Molecular Weight | 325.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.98795 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 40583-17-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)OCCCCO |
| InChIKey | VXWTVROLUSKWJR-UHFFFAOYSA-N |
Product Overview
4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate (CAS 40583-17-3), with molecular formula C12H13Cl3O4 and molecular weight 325.99 g/mol. IUPAC: 4-hydroxybutyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate
Property Insights of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate
The XLogP value of 3.7 indicates that 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate has 1 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 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate?
The CAS number of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate is 40583-17-3.
What is the molecular formula of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate?
The molecular formula of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate is C12H13Cl3O4.
What is the molecular weight of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate?
The molecular weight of 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate is 325.99 g/mol.
Where can I buy 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate?
You can request a quote for 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybutyl (2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.