CAS RN: 14486-09-0
H-VAL-MET-OH
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.20260127 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14486-09-0
- Purity/Analytical Methods: >99.0%
14486-09-0 / (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
Basic Information
CAS
14486-09-0
Multi CAS
No
Molecular Formula
C10H20N2O3S
Molecular Weight
248.340000
Exact Mass
248.119464
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N
InChI
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKey
YSGSDAIMSCVPHG-YUMQZZPRSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
65.38
TPSA
92.42
LogP / Solubility
WLOGP
0.29
MLOGP
0.26
XLogP3
-2.8
Consensus LogP
-0.75
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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