CAS RN: 65128-96-3
Z-7-TETRADECENAL
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS65128-96-3
- Purity/Analytical Methods: >99.0%
65128-96-3 / tetradec-7-enal
Basic Information
CAS
65128-96-3
Multi CAS
Yes
Molecular Formula
C14H26O
Molecular Weight
210.360000
Exact Mass
210.198365
InChI
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-8,14H,2-6,9-13H2,1H3/b8-7-
InChIKey
AVHNDAZRNRAYTP-FPLPWBNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.79
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
67.05
TPSA
17.07
LogP / Solubility
WLOGP
4.66
MLOGP
4.1
XLogP3
5
Consensus LogP
4.59
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
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)
-0.69
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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