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CAS 5680-10-4 1,2-Benzenedicarboxylic acid, 4,5-dimethyl- molecular structure lightbox
CAS RN: 5680-10-4

1,2-Benzenedicarboxylic acid, 4,5-dimethyl-

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251210 1g In stock Inquiry
Batchno.20260409 250mg In stock Inquiry
  • Product code: SSC-164817
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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 5680-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5680-10-4 / 4,5-dimethylphthalic acid

Standard CAS: 5680-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5680-10-4
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-5-3-7(9(11)12)8(10(13)14)4-6(5)2/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKey
FLLRBCSVUAPCKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.83
TPSA
74.6

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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