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CAS 34010-20-3 CIS-9-HEXADECENYL ACETATE molecular structure lightbox
CAS RN: 34010-20-3

CIS-9-HEXADECENYL ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34010-20-3
  • Purity/Analytical Methods: >99.0%
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34010-20-3 / hexadec-9-enyl acetate

Standard CAS: 34010-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34010-20-3
Multi CAS
Yes
Molecular Formula
C18H34O2
Molecular Weight
282.500000
Exact Mass
282.255880
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h8-9H,3-7,10-17H2,1-2H3/b9-8-
InChIKey
VAKBQCYSUVICLV-HJWRWDBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
86.85
TPSA
26.3

LogP / Solubility

WLOGP
5.81
MLOGP
5.12
XLogP3
6.8
Consensus LogP
5.91
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.32

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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