CAS RN: 5264-33-5
5-cyanopentanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250830 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS5264-33-5
- Purity/Analytical Methods: >99.0%
5264-33-5 / 5-cyanopentanoic acid
Basic Information
CAS
5264-33-5
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
InChI
InChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H2,(H,8,9)
InChIKey
SKUPALMUTWEAPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.72
TPSA
61.09
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.1
Consensus LogP
0.75
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.68
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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