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CAS 26627-77-0 N-(N-HEPTYL)-N-OCTYLAMINE molecular structure lightbox
CAS RN: 26627-77-0

N-(N-HEPTYL)-N-OCTYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26627-77-0
  • Purity/Analytical Methods: >99.0%
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26627-77-0 / N-heptyloctan-1-amine

Standard CAS: 26627-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26627-77-0
Multi CAS
No
Molecular Formula
C15H33N
Molecular Weight
227.430000
Exact Mass
227.261300
SMILES
CCCCCCCCNCCCCCCC
InChI
InChI=1S/C15H33N/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h16H,3-15H2,1-2H3
InChIKey
HAEBNPLWJOGFDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75
TPSA
12.03

LogP / Solubility

WLOGP
4.91
MLOGP
4.32
XLogP3
6.1
Consensus LogP
5.11
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.62

Drug-likeness / Medicinal Chemistry

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

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