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CAS 1182333-70-5 4-((tetrahydrofuran-3-yl)oxy)benzaldehyde molecular structure lightbox
CAS RN: 1182333-70-5

4-((tetrahydrofuran-3-yl)oxy)benzaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1182333-70-5
  • Purity/Analytical Methods: >99.0%
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1182333-70-5 / 4-(oxolan-3-yloxy)benzaldehyde

4-((tetrahydrofuran-3-yl)oxy)benzaldehyde | 4-(oxolan-3-yloxy)benzaldehyde | MFCD18365741

Standard CAS: 1182333-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1182333-70-5
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
SMILES
C1COCC1OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H12O3/c12-7-9-1-3-10(4-2-9)14-11-5-6-13-8-11/h1-4,7,11H,5-6,8H2
InChIKey
JCZZBIQMOZFUGB-UHFFFAOYSA-N
Synonyms
4-((tetrahydrofuran-3-yl)oxy)benzaldehyde 4-(oxolan-3-yloxy)benzaldehyde MFCD18365741 rac-4-(Tetrahydrofuran-3-yloxy)benzaldehyde SCHEMBL924708

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.68
TPSA
35.53

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.71

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
2

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