CAS RN: 7774-82-5
FEMA 3082
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS7774-82-5
- Purity/Analytical Methods: >99.0%
7774-82-5 / tridec-2-enal
Basic Information
CAS
7774-82-5
Multi CAS
Yes
Molecular Formula
C13H24O
Molecular Weight
196.330000
Exact Mass
196.182715
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+
InChIKey
VMUNAKQXJLHODT-VAWYXSNFSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.77
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
62.43
TPSA
17.07
LogP / Solubility
WLOGP
4.27
MLOGP
3.76
XLogP3
5.3
Consensus LogP
4.44
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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