CAS RN: 25887-39-2
putreanine
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.20260102 | 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS25887-39-2
- Purity/Analytical Methods: >99.0%
25887-39-2 / 3-(4-aminobutylamino)propanoic acid
Basic Information
CAS
25887-39-2
Multi CAS
No
Molecular Formula
C7H16N2O2
Molecular Weight
160.210000
Exact Mass
160.121178
SMILES
C(CCNCCC(=O)O)CN
InChI
InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKey
BTSHXVLJDRJCMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.41
TPSA
75.35
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.19
XLogP3
-3.2
Consensus LogP
-1.2
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.37
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)
-3.85
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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