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CAS 120-08-1 SCOPARONE molecular structure lightbox
CAS RN: 120-08-1

SCOPARONE

Product Availability

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250112 1g Out of stock Inquiry
Batchno.20260105 250mg In stock Inquiry
Batchno.20250505 25g Out of stock Inquiry
Batchno.20250729 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20251118 10mg Out of stock Inquiry
Batchno.20260305 20mg In stock Inquiry
  • Product code: SSC-020771
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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: ≥98%
  • 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 120-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

120-08-1 / 6,7-dimethoxychromen-2-one

Scoparone | 6,7-DIMETHOXYCOUMARIN | 6,7-Dimethylesculetin

Standard CAS: 120-08-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-08-1
Multi CAS
Yes
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKey
GUAFOGOEJLSQBT-UHFFFAOYSA-N
Synonyms
Scoparone 6,7-DIMETHOXYCOUMARIN 6,7-Dimethylesculetin Escoparone Scoparon

Physical Properties

Melting Point
144 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.59
TPSA
48.67

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

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