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CAS 223420-41-5 6-Bromo-7-hydroxy-4-(hydroxymethyl)coumarin molecular structure lightbox
CAS RN: 223420-41-5

6-Bromo-7-hydroxy-4-(hydroxymethyl)coumarin

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 250mg In stock Shanghai Inquiry
  • Product code: SSC-108938
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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 223420-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

223420-41-5 / 6-bromo-7-hydroxy-4-(hydroxymethyl)chromen-2-one

Standard CAS: 223420-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223420-41-5
Multi CAS
No
Molecular Formula
C10H7BrO4
Molecular Weight
271.060000
Exact Mass
269.952770
SMILES
C1=C(C2=CC(=C(C=C2OC1=O)O)Br)CO
InChI
InChI=1S/C10H7BrO4/c11-7-2-6-5(4-12)1-10(14)15-9(6)3-8(7)13/h1-3,12-13H,4H2
InChIKey
IIDQAAJTECOGEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.77
TPSA
70.67

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
0.9
Consensus LogP
1.4
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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