CAS RN: 204191-43-5
DL-3-T-BUTYL-BETA-ALANINE
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.20260628 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926918
204191-43-5 / 3-amino-4,4-dimethylpentanoic acid
Basic Information
CAS
204191-43-5
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CC(C)(C)C(CC(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKey
MIMSUZKTGRXZNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.68
TPSA
63.32
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
-1.7
Consensus LogP
-0.05
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Methyl 2-aMino-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate
- CAS RN: 1198615-60-9
- Product Code: SSC-020653
-
-
Methyl 3-amino-4-phenylthiophene-2-carboxylate
- CAS RN: 82437-64-7
- Product Code: SSC-190583
-
3-Amino-5-(3-fluorophenyl)thiophene-2-carboxylic acid
- CAS RN: 1184917-64-3
- Product Code: LINA900653
-
-
