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CAS 86-44-2 3-BENZYL-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE molecular structure lightbox
CAS RN: 86-44-2

3-BENZYL-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250405 10g In stock Shenzhen Inquiry
Batchno.20260128 1g In stock Shanghai Inquiry
Batchno.20260527 1g / 5g / 10g Out of stock 8-10 business days Inquiry
Batchno.20251017 5g In stock Shenzhen Inquiry
  • Product code: SSC-194742
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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: 5g
  • 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 86-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

86-44-2 / 3-benzyl-7-hydroxy-4-methylchromen-2-one

Standard CAS: 86-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86-44-2
Multi CAS
Yes
Molecular Formula
C17H14O3
Molecular Weight
266.290000
Exact Mass
266.094294
InChI
InChI=1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
InChIKey
IDFOCEQDKOOOER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.13
TPSA
50.44

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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