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CAS 13361-36-9 2-Methoxyethyl Chloroacetate molecular structure lightbox
CAS RN: 13361-36-9

2-Methoxyethyl Chloroacetate

  • Product code: SSC-040491
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13361-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

13361-36-9 / 2-methoxyethyl 2-chloroacetate

Standard CAS: 13361-36-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13361-36-9
Multi CAS
No
Molecular Formula
C5H9ClO3
Molecular Weight
152.570000
Exact Mass
152.024022
SMILES
COCCOC(=O)CCl
InChI
InChI=1S/C5H9ClO3/c1-8-2-3-9-5(7)4-6/h2-4H2,1H3
InChIKey
SVLBINWLZIVRJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
33.55
TPSA
35.53

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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