CAS RN: 24032-35-7
H-GLU-PNA
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.20250310 | 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24032-35-7
- Purity/Analytical Methods: >99.0%
24032-35-7 / (4S)-4-amino-5-(4-nitroanilino)-5-oxopentanoic acid
Basic Information
CAS
24032-35-7
Multi CAS
No
Molecular Formula
C11H13N3O5
Molecular Weight
267.240000
Exact Mass
267.085521
SMILES
C1=CC(=CC=C1NC(=O)[C@H](CCC(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
JXQXNQKTUGNZLD-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
66.57
TPSA
135.56
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
XLogP3
-2.4
Consensus LogP
-0.34
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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