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CAS 14426-42-7 Ethyl 2-(4-chlorophenoxy)acetate molecular structure lightbox
CAS RN: 14426-42-7

Ethyl 2-(4-chlorophenoxy)acetate

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Batchno.20251025 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14426-42-7
  • Purity/Analytical Methods: >99.0%
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14426-42-7 / ethyl 2-(4-chlorophenoxy)acetate

Standard CAS: 14426-42-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14426-42-7
Multi CAS
No
Molecular Formula
C10H11ClO3
Molecular Weight
214.640000
Exact Mass
214.039672
SMILES
CCOC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKey
QULRDJFRGVHKLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
53.58
TPSA
35.53

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.9
Consensus LogP
2.4
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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