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CAS 84-73-1 bis(2-hydroxyethyl) phthalate molecular structure lightbox
CAS RN: 84-73-1

bis(2-hydroxyethyl) phthalate

  • Product code: SSC-191628
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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 84-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

84-73-1 / bis(2-hydroxyethyl) benzene-1,2-dicarboxylate

Standard CAS: 84-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84-73-1
Multi CAS
No
Molecular Formula
C12H14O6
Molecular Weight
254.240000
Exact Mass
254.079038
InChI
InChI=1S/C12H14O6/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
InChIKey
CAKVXHUYTFYBPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
61.18
TPSA
93.06

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.01
XLogP3
0.4
Consensus LogP
0.12
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-4.28

Drug-likeness / Medicinal Chemistry

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

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