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CAS 69526-90-5 2-FORMYL-1,4-BENZENEDICARBOXYLIC ACID molecular structure lightbox
CAS RN: 69526-90-5

2-FORMYL-1,4-BENZENEDICARBOXYLIC ACID

  • Product code: SSC-179238
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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 69526-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

69526-90-5 / 2-formylterephthalic acid

Standard CAS: 69526-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69526-90-5
Multi CAS
No
Molecular Formula
C9H6O5
Molecular Weight
194.140000
Exact Mass
194.021523
InChI
InChI=1S/C9H6O5/c10-4-6-3-5(8(11)12)1-2-7(6)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
KKFCDLZHSHTRSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.75
TPSA
91.67

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.7
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.27

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

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