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CAS 31314-16-6 (Z)-2-(octadec-9-enylamino)ethanol molecular structure lightbox
CAS RN: 31314-16-6

(Z)-2-(octadec-9-enylamino)ethanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS31314-16-6
  • Purity/Analytical Methods: >99.0%
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31314-16-6 / 2-(octadec-9-enylamino)ethanol

Standard CAS: 31314-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31314-16-6
Multi CAS
Yes
Molecular Formula
C20H41NO
Molecular Weight
311.500000
Exact Mass
311.318815
InChI
InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3/b10-9-
InChIKey
ZMOMBHNITWAALH-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.41
TPSA
32.26

LogP / Solubility

WLOGP
5.61
MLOGP
4.95
XLogP3
7
Consensus LogP
5.85
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.64

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
2.5

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