CAS RN: 17463-53-5
H-ALA-ONP HCL
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.20250629 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS17463-53-5
- Purity/Analytical Methods: >99.0%
17463-53-5 / (4-nitrophenyl) (2S)-2-aminopropanoate;hydrochloride
Basic Information
CAS
17463-53-5
Multi CAS
No
Molecular Formula
C9H11ClN2O4
Molecular Weight
246.650000
Exact Mass
246.040735
SMILES
C[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
InChI
InChI=1S/C9H10N2O4.ClH/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKey
PCXNSMBHNXCGRR-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.63
TPSA
95.46
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 17475-67-1
- Product Code: starshine_CAS17475-67-1
- Purity/Analytical method: >99.0%
