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CAS 108997-30-4 (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one molecular structure lightbox
CAS RN: 108997-30-4

(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one

  • Product code: SSC-010167
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 108997-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

108997-30-4 / (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one

1,3-bis-(4-hydroxyphenyl)-2-propen-1-one | 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one | 4,4'-dihydroxylchalcone

Standard CAS: 108997-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108997-30-4
Multi CAS
Yes
Molecular Formula
C15H12O3
Molecular Weight
240.250000
Exact Mass
240.078644
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
InChIKey
FZQLEXXZAVVCCA-XCVCLJGOSA-N
Synonyms
1,3-bis-(4-hydroxyphenyl)-2-propen-1-one 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one 4,4'-dihydroxylchalcone SCHEMBL773589 FZQLEXXZAVVCCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.58
TPSA
57.53

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.06

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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