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CAS 25934-52-5 3-CyclopropylMethoxy-4-Hydroxybenzaldehyde molecular structure lightbox
CAS RN: 25934-52-5

3-CyclopropylMethoxy-4-Hydroxybenzaldehyde

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 1g In stock Shanghai Inquiry
Batchno.20250416 250mg In stock Shanghai Inquiry
Batchno.20260601 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS25934-52-5
  • Purity/Analytical Methods: >99.0%
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25934-52-5 / 3-(cyclopropylmethoxy)-4-hydroxybenzaldehyde

Standard CAS: 25934-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25934-52-5
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
SMILES
C1CC1COC2=C(C=CC(=C2)C=O)O
InChI
InChI=1S/C11H12O3/c12-6-9-3-4-10(13)11(5-9)14-7-8-1-2-8/h3-6,8,13H,1-2,7H2
InChIKey
MLAZVBDTWHMFRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.71
TPSA
46.53

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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