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CAS 3999-01-7 (9Z,12Z)-octadeca-9,12-dien-1-amide molecular structure lightbox
CAS RN: 3999-01-7

(9Z,12Z)-octadeca-9,12-dien-1-amide

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1g Out of stock Inquiry
Batchno.20260602 250mg In stock Inquiry
Batchno.20260629 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 50mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS3999-01-7
  • Purity/Analytical Methods: >99.0%
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3999-01-7 / octadeca-9,12-dienamide

Standard CAS: 3999-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3999-01-7
Multi CAS
Yes
Molecular Formula
C18H33NO
Molecular Weight
279.500000
Exact Mass
279.256215
InChI
InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)
InChIKey
SFIHQZFZMWZOJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.55
TPSA
43.09

LogP / Solubility

WLOGP
5.29
MLOGP
4.66
XLogP3
5.9
Consensus LogP
5.28
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.67

Drug-likeness / Medicinal Chemistry

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

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