CAS RN: 85-87-0
pyridoxamine
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.20250211 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS85-87-0
- Purity/Analytical Methods: >99.0%
85-87-0 / 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Basic Information
CAS
85-87-0
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKey
NHZMQXZHNVQTQA-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.45
TPSA
79.37
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-1
Consensus LogP
-0.3
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
