CAS RN: 72636-02-3
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Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260424 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72636-02-3
- Purity/Analytical Methods: >99.0%
72636-02-3 / 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid
Basic Information
CAS
72636-02-3
Multi CAS
Yes
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
InChI
InChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
InChIKey
GVRKWABULJAONN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
54.06
TPSA
112.65
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.95
XLogP3
-3.7
Consensus LogP
-1.91
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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