CAS RN: 905929-81-9
D-METHALLYLGLYCINE
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.20260428 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS905929-81-9
- Purity/Analytical Methods: >99.0%
905929-81-9 / 2-amino-4-methylpent-4-enoic acid
Basic Information
CAS
905929-81-9
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)/t5-/m1/s1
InChIKey
PABWDKROPVYJBH-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.04
TPSA
63.32
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
-1.6
Consensus LogP
-0.31
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-3.25
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
2
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