CAS RN: 1999-43-5
DL-Alanyl-DL-methionine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260606 | 100mg | In stock | Inquiry |
- Product code: ICTA0187
- Purity/Analytical Methods: >98.0%(T)(HPLC)
1999-43-5 / 2-(2-aminopropanoylamino)-4-methylsulfanylbutanoic acid
Basic Information
CAS
1999-43-5
Multi CAS
No
Molecular Formula
C8H16N2O3S
Molecular Weight
220.290000
Exact Mass
220.088164
SMILES
CC(C(=O)NC(CCSC)C(=O)O)N
InChI
InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
FSHURBQASBLAPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.21
TPSA
92.42
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-3.2
Consensus LogP
-1.28
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
