CAS RN: 6078-06-4
(R)-3-AMINO-BUTYRIC ACID METHYL ESTER
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.20250914 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6078-06-4
- Purity/Analytical Methods: >99.0%
6078-06-4 / methyl (3R)-3-aminobutanoate
Basic Information
CAS
6078-06-4
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c1-4(6)3-5(7)8-2/h4H,3,6H2,1-2H3
InChIKey
SJQZRROQIBFBPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.28
TPSA
52.32
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.5
Consensus LogP
-0.23
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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