CAS RN: 56797-40-1
AI3-35586
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.20250318 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56797-40-1
- Purity/Analytical Methods: >99.0%
56797-40-1 / hexadec-7-enal
Basic Information
CAS
56797-40-1
Multi CAS
Yes
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9-
InChIKey
BLJFSPZWKBTYHR-KTKRTIGZSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
76.28
TPSA
17.07
LogP / Solubility
WLOGP
5.44
MLOGP
4.79
XLogP3
6.1
Consensus LogP
5.44
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
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)
-0.31
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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- Product Code: starshine_CAS56798-34-6
- Purity/Analytical method: >99.0%
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