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CAS 66-76-2 Dicoumarol molecular structure lightbox
CAS RN: 66-76-2

Dicoumarol

Product Availability

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12 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 1g In stock Shanghai Inquiry
Batchno.20250407 250mg In stock Shanghai Inquiry
Batchno.20260221 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250820 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 100g In stock Shandong Inquiry
Batchno.20260614 1g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250405 25g In stock Shanghai, Shandong Inquiry
Batchno.20251008 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 1g Out of stock Inquiry
Batchno.20251121 25g Out of stock Inquiry
Batchno.20251123 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 1ml In stock Inquiry
  • Product code: SSC-175621
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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: 25g
  • 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 66-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

66-76-2 / 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

Standard CAS: 66-76-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66-76-2
Multi CAS
Yes
Molecular Formula
C19H12O6
Molecular Weight
336.300000
Exact Mass
336.063388
InChI
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChIKey
DOBMPNYZJYQDGZ-UHFFFAOYSA-N

Physical Properties

Melting Point
287-293 °C 290 °C
Physical Description
White solid with a mild pleasant odor; [HSDB] Solid
Appearance
White or creamy white, crystalline powder Minute crystals NEEDLES Very small crystals from cyclohexanone
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
91.1
TPSA
100.88

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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