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CAS 853233-62-2 4-Hydroxy-3-[(4-hydroxyphenyl)methyl]benzaldehyde molecular structure lightbox
CAS RN: 853233-62-2

4-Hydroxy-3-[(4-hydroxyphenyl)methyl]benzaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS853233-62-2
  • Purity/Analytical Methods: >99.0%
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853233-62-2 / 4-hydroxy-3-[(4-hydroxyphenyl)methyl]benzaldehyde

Standard CAS: 853233-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853233-62-2
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c15-9-11-3-6-14(17)12(8-11)7-10-1-4-13(16)5-2-10/h1-6,8-9,16-17H,7H2
InChIKey
YNQWLVZLQOKLSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.41
TPSA
57.53

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.34

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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