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CAS 70268-36-9 4-NONADECYLPYRIDINE molecular structure lightbox
CAS RN: 70268-36-9

4-NONADECYLPYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70268-36-9
  • Purity/Analytical Methods: >99.0%
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70268-36-9 / 4-nonadecylpyridine

Standard CAS: 70268-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70268-36-9
Multi CAS
No
Molecular Formula
C24H43N
Molecular Weight
345.600000
Exact Mass
345.339550
InChI
InChI=1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-22-25-23-21-24/h20-23H,2-19H2,1H3
InChIKey
UMOIOBOWJASTRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
112.1
TPSA
12.89

LogP / Solubility

WLOGP
8.28
MLOGP
7.3
XLogP3
10.8
Consensus LogP
8.79
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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