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CAS 39943-37-8 Cyclopentanecarboxaldehyde, 1-[(dimethylamino)methyl]- (9CI) molecular structure lightbox
CAS RN: 39943-37-8

Cyclopentanecarboxaldehyde, 1-[(dimethylamino)methyl]- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS39943-37-8
  • Purity/Analytical Methods: >99.0%
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39943-37-8 / 1-[(dimethylamino)methyl]cyclopentane-1-carbaldehyde

Standard CAS: 39943-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39943-37-8
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
InChI
InChI=1S/C9H17NO/c1-10(2)7-9(8-11)5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKey
NEHVBXDPRDUMRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
45.52
TPSA
20.31

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.19
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.74

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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