CAS RN: 13433-04-0
H-ASP-VAL-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.20251212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13433-04-0
- Purity/Analytical Methods: >99.0%
13433-04-0 / (2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoic acid
Basic Information
CAS
13433-04-0
Multi CAS
No
Molecular Formula
C9H16N2O5
Molecular Weight
232.230000
Exact Mass
232.105922
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m0/s1
InChIKey
CPMKYMGGYUFOHS-FSPLSTOPSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
54.63
TPSA
129.72
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.86
XLogP3
-4.7
Consensus LogP
-2.18
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.84
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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