CAS RN: 305-62-4
2,4-DIAMINO-BUTYRIC ACID
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS305-62-4
- Purity/Analytical Methods: >99.0%
305-62-4 / 2,4-diaminobutanoic acid
Basic Information
CAS
305-62-4
Multi CAS
No
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
InChI
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChIKey
OGNSCSPNOLGXSM-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.28
TPSA
89.34
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.11
XLogP3
-4.6
Consensus LogP
-2.32
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.33
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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