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CAS RN: 18668-08-1
H-PRO-GLN-OH
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 10mg / 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS18668-08-1
- Purity/Analytical Methods: >99.0%
18668-08-1 / (2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Basic Information
CAS
18668-08-1
Multi CAS
No
Molecular Formula
C10H17N3O4
Molecular Weight
243.260000
Exact Mass
243.121906
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
SHAQGFGGJSLLHE-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
59.02
TPSA
121.52
LogP / Solubility
WLOGP
-1.43
MLOGP
-1.25
XLogP3
-4.9
Consensus LogP
-2.53
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-5.22
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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