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CAS 66323-03-3 Dimethyl 4,5-dihydroxyphthalate molecular structure lightbox
CAS RN: 66323-03-3

Dimethyl 4,5-dihydroxyphthalate

  • Product code: SSC-175975
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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: ＞97%
  • 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 66323-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

66323-03-3 / dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate

Standard CAS: 66323-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66323-03-3
Multi CAS
No
Molecular Formula
C10H10O6
Molecular Weight
226.180000
Exact Mass
226.047738
InChI
InChI=1S/C10H10O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h3-4,11-12H,1-2H3
InChIKey
FXPCZDQRACWUBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.45
TPSA
93.06

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.9
Consensus LogP
0.72
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.62

Drug-likeness / Medicinal Chemistry

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

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