CAS RN: 19245-85-3
N-ACETYL-ALA-ALA-ALA
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.20250124 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS19245-85-3
- Purity/Analytical Methods: >99.0%
19245-85-3 / (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoic acid
Basic Information
CAS
19245-85-3
Multi CAS
No
Molecular Formula
C11H19N3O5
Molecular Weight
273.290000
Exact Mass
273.132471
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)C
InChI
InChI=1S/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t5-,6-,7-/m0/s1
InChIKey
DRYOODAJROGPQO-ACZMJKKPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
66.12
TPSA
124.6
LogP / Solubility
WLOGP
-1.39
MLOGP
-1.22
XLogP3
-1.2
Consensus LogP
-1.27
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-5.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
Cyclopentansulfonsre
- CAS RN: 19247-73-5
- Product Code: starshine_CAS19247-73-5
- Purity/Analytical method: >99.0%
-
-
(4-phenylphenyl)thiourea
- CAS RN: 19250-03-4
- Product Code: starshine_CAS19250-03-4
- Purity/Analytical method: >99.0%
-
