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CAS 80883-54-1 7-DIMETHYLAMINOCOUMARIN-4-ACETIC ACID molecular structure lightbox
CAS RN: 80883-54-1

7-DIMETHYLAMINOCOUMARIN-4-ACETIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250326 1g In stock Shanghai Inquiry
Batchno.20250901 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260514 25mg / 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260209 5g Out of stock Inquiry
  • Product code: SSC-189523
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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 80883-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

80883-54-1 / 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid

Standard CAS: 80883-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80883-54-1
Multi CAS
No
Molecular Formula
C13H13NO4
Molecular Weight
247.250000
Exact Mass
247.084458
InChI
InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKey
HQMBLJOHUDYJLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.15
TPSA
70.75

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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