CAS RN: 81201-85-6
L-VALINE-1-13C
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.20260106 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81201-85-6
- Purity/Analytical Methods: >99.0%
81201-85-6 / (2S)-2-amino-3-methylbutanoic acid
Basic Information
CAS
81201-85-6
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey
KZSNJWFQEVHDMF-BYPYZUCNSA-N
Physical Properties
Melting Point
315 °C (closed capillary)
MP: 315 °C with decomposition (D-Valine (natural isomer))
MP: 293 °C with decomposition (L-Valine)
295 - 300 °C
Boiling Point
Sublimes
Density
1.23 g/cu cm at 25 °C
Physical Description
Solid; [Merck Index] White powder;
Solid
Appearance
Leaflets from water + alcohol
White, crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.45
TPSA
63.32
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-2.3
Consensus LogP
-0.74
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-3.4
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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