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CAS 58749-22-7 Licochalcone A molecular structure lightbox
CAS RN: 58749-22-7

Licochalcone A

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 100mg In stock Shanghai Inquiry
Batchno.20250805 10mg In stock Shanghai Inquiry
Batchno.20250517 50mg In stock Shanghai Inquiry
Batchno.20250302 5mg In stock Shanghai Inquiry
  • Product code: SSC-167066
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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: 0.1g
  • 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 58749-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shanghai Inquiry

58749-22-7 / 3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one

Standard CAS: 58749-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58749-22-7
Multi CAS
Yes
Molecular Formula
C21H22O4
Molecular Weight
338.400000
Exact Mass
338.151809
InChI
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3
InChIKey
KAZSKMJFUPEHHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.35
TPSA
66.76

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
4.9
Consensus LogP
4.44
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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