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CAS 54287-99-9 5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE molecular structure lightbox
CAS RN: 54287-99-9

5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250708 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251103 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251127 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260512 5g In stock Shanghai Inquiry
  • Product code: SSC-161919
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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 54287-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

54287-99-9 / 5-hydroxy-2,2-dimethylchromene-6-carbaldehyde

Standard CAS: 54287-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54287-99-9
Multi CAS
No
Molecular Formula
C12H12O3
Molecular Weight
204.220000
Exact Mass
204.078644
InChI
InChI=1S/C12H12O3/c1-12(2)6-5-9-10(15-12)4-3-8(7-13)11(9)14/h3-7,14H,1-2H3
InChIKey
VLHVXYPFWRHKHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.24
TPSA
46.53

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.27

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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