CAS RN: 35153-20-9

cis-12-Tetradecenylacetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35153-20-9
  • Purity/Analytical Methods: >99.0%
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35153-20-9 / tetradec-12-enyl acetate

Standard CAS: 35153-20-9 Multi CAS: Yes

Basic Information

CAS
35153-20-9
Multi CAS
Yes
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3/b4-3-
InChIKey
CRJBZFQLVNBSHX-ARJAWSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
77.62
TPSA
26.3

LogP / Solubility

WLOGP
5.03
MLOGP
4.43
XLogP3
6
Consensus LogP
5.15
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
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)
-0.7

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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