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CAS 16695-41-3 trans-7-dodecenylacetate molecular structure lightbox
CAS RN: 16695-41-3

trans-7-dodecenylacetate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250829 1g Out of stock 8-10 business days Inquiry
Batchno.20250813 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS16695-41-3
  • Purity/Analytical Methods: >99.0%
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16695-41-3 / [(E)-dodec-7-enyl] acetate

Standard CAS: 16695-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16695-41-3
Multi CAS
No
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
SMILES
CCCC/C=C/CCCCCCOC(=O)C
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6+
InChIKey
MUZGQHWTRUVFLG-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.79
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
68.38
TPSA
26.3

LogP / Solubility

WLOGP
4.25
MLOGP
3.74
XLogP3
4.8
Consensus LogP
4.26
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

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)
-1.09

Drug-likeness / Medicinal Chemistry

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

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