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CAS 328019-68-7 3-(2-CHLORO-PHENYL)-7-HYDROXY-2-METHYL-CHROMEN-4-ONE molecular structure lightbox
CAS RN: 328019-68-7

3-(2-CHLORO-PHENYL)-7-HYDROXY-2-METHYL-CHROMEN-4-ONE

  • Product code: SSC-138510
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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 328019-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

328019-68-7 / 3-(2-chlorophenyl)-7-hydroxy-2-methylchromen-4-one

Standard CAS: 328019-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
328019-68-7
Multi CAS
No
Molecular Formula
C16H11CLO3
Molecular Weight
286.710000
Exact Mass
286.039672
InChI
InChI=1S/C16H11ClO3/c1-9-15(11-4-2-3-5-13(11)17)16(19)12-7-6-10(18)8-14(12)20-9/h2-8,18H,1H3
InChIKey
WEDRCDZEHNPGMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.33
TPSA
50.44

LogP / Solubility

WLOGP
4.13
MLOGP
3.64
XLogP3
3.8
Consensus LogP
3.86
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

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

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