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CAS 65338-30-9 1-methylcyclobutanecarboxaldehyde molecular structure lightbox
CAS RN: 65338-30-9

1-methylcyclobutanecarboxaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65338-30-9
  • Purity/Analytical Methods: >99.0%
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65338-30-9 / 1-methylcyclobutane-1-carbaldehyde

Standard CAS: 65338-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65338-30-9
Multi CAS
No
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
InChI
InChI=1S/C6H10O/c1-6(5-7)3-2-4-6/h5H,2-4H2,1H3
InChIKey
NCJXPECBGWEDFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
28.02
TPSA
17.07

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-2.34

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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