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CAS 40546-94-9 6-Methyl-4-phenyl-2-chromanone molecular structure lightbox
CAS RN: 40546-94-9

6-Methyl-4-phenyl-2-chromanone

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250905 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250530 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251128 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250510 25g In stock Chengdu Inquiry
Batchno.20260201 5g Out of stock Inquiry
  • Product code: SSC-148805
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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: ≥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 40546-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

40546-94-9 / (4S)-6-methyl-4-phenyl-3,4-dihydrochromen-2-one

Standard CAS: 40546-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40546-94-9
Multi CAS
Yes
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
InChI
InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChIKey
SUHIZPDCJOQZLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.72
TPSA
26.3

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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
2

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