CAS RN: 29739-67-1
(Z)-Penta-2,4-dienoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251202 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS29739-67-1
- Purity/Analytical Methods: >99.0%
29739-67-1 / penta-2,4-dienoic acid
Basic Information
CAS
29739-67-1
Multi CAS
Yes
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
InChI
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)
InChIKey
SDVVLIIVFBKBMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.97
TPSA
37.3
LogP / Solubility
WLOGP
0.81
MLOGP
0.7
XLogP3
1.1
Consensus LogP
0.87
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
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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