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CAS 36076-25-2 Dimethyl 2,2′-(1,4-phenylene)diacetate molecular structure lightbox
CAS RN: 36076-25-2

Dimethyl 2,2′-(1,4-phenylene)diacetate

  • Product code: SSC-143201
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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: 1g
  • 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 36076-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

36076-25-2 / methyl 2-[4-(2-methoxy-2-oxoethyl)phenyl]acetate

Standard CAS: 36076-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36076-25-2
Multi CAS
Yes
Molecular Formula
C12H14O4
Molecular Weight
222.240000
Exact Mass
222.089209
InChI
InChI=1S/C12H14O4/c1-15-11(13)7-9-3-5-10(6-4-9)8-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKey
WDAIQYFBXLZOHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
57.88
TPSA
52.6

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.5
Consensus LogP
1.2
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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