CAS RN: 94-80-4
2,4-D butylate in Hexane, 100μg/mL u=3% in hexane
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260101 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251229 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251212 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 1ml | In stock | Inquiry |
- Product code: LIND821177
94-80-4 / butyl 2-(2,4-dichlorophenoxy)acetate
Basic Information
CAS
94-80-4
Multi CAS
Yes
Molecular Formula
C12H14CL2O3
Molecular Weight
277.140000
Exact Mass
276.032000
InChI
InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChIKey
UQMRAFJOBWOFNS-UHFFFAOYSA-N
Physical Properties
Melting Point
9 °C
Boiling Point
295 to 297 °F at 1 mmHg (NTP, 1992)
Density
1.235 to 1.245 at 68 °F (NTP, 1992)
Physical Description
2,4-d, n-butyl ester is a clear colorless to light brown liquid. (NTP, 1992)
Colorless to light brown liquid; [CAMEO]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
67.82
TPSA
35.53
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
4.4
Consensus LogP
3.8
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
