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CAS 531-81-7 Coumarin-3-carboxylic Acid molecular structure lightbox
CAS RN: 531-81-7

Coumarin-3-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100g In stock Shanghai Inquiry
Batchno.20260109 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250726 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250508 1kg In stock Shanghai Inquiry
Batchno.20250828 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260417 500g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160303
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 531-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
500g >97% 5 In Stock Shenzhen Inquiry

531-81-7 / 2-oxochromene-3-carboxylic acid

Standard CAS: 531-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-81-7
Multi CAS
Yes
Molecular Formula
C10H6O4
Molecular Weight
190.150000
Exact Mass
190.026609
InChI
InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChIKey
ACMLKANOGIVEPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.44
TPSA
67.51

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
2.2
Consensus LogP
1.67
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.82

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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