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CAS 2683-57-0 5-Diethylamino-1-pentanol molecular structure lightbox
CAS RN: 2683-57-0

5-Diethylamino-1-pentanol

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260417 1g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 100g Out of stock 5-7 business days Inquiry
Batchno.20250226 25g In stock Shandong Inquiry
Batchno.20251219 5g In stock Guangdong Inquiry
  • Product code: ICTD4865
  • Purity/Analytical Methods: >98.0%(GC)(T)
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2683-57-0 / 5-(diethylamino)pentan-1-ol

Standard CAS: 2683-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2683-57-0
Multi CAS
No
Molecular Formula
C9H21NO
Molecular Weight
159.270000
Exact Mass
159.162314
SMILES
CCN(CC)CCCCCO
InChI
InChI=1S/C9H21NO/c1-3-10(4-2)8-6-5-7-9-11/h11H,3-9H2,1-2H3
InChIKey
RUQDFMATAGUGMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.72
TPSA
23.47

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.77
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)
-2.63

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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