CAS RN: 118724-99-5
Alanine, N-(N-acetyl-2-methylalanyl)-2-methyl- (9CI)
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.20260701 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS118724-99-5
- Purity/Analytical Methods: >99.0%
118724-99-5 / 2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoic acid
2-(2-ACETAMIDO-2-METHYLPROPANAMIDO)-2-METHYLPROPANOIC ACID | Alanine, N-(N-acetyl-2-methylalanyl)-2-methyl- (9CI) | MFCD18824104
Basic Information
CAS
118724-99-5
Multi CAS
Yes
Molecular Formula
C10H18N2O4
Molecular Weight
230.260000
Exact Mass
230.126657
SMILES
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-6(13)11-9(2,3)7(14)12-10(4,5)8(15)16/h1-5H3,(H,11,13)(H,12,14)(H,15,16)
InChIKey
IGBQCFANGWYUSJ-UHFFFAOYSA-N
Synonyms
2-(2-ACETAMIDO-2-METHYLPROPANAMIDO)-2-METHYLPROPANOIC ACID
Alanine, N-(N-acetyl-2-methylalanyl)-2-methyl- (9CI)
MFCD18824104
2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoic acid
AKOS027395881
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.75
TPSA
95.5
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.1
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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