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CAS 22028-81-5 H-GLY-ALA-HYP-OH molecular structure lightbox
CAS RN: 22028-81-5

H-GLY-ALA-HYP-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22028-81-5
  • Purity/Analytical Methods: >99.0%
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22028-81-5 / (2S,4R)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Standard CAS: 22028-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22028-81-5
Multi CAS
No
Molecular Formula
C10H17N3O5
Molecular Weight
259.260000
Exact Mass
259.116821
SMILES
C[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)NC(=O)CN
InChI
InChI=1S/C10H17N3O5/c1-5(12-8(15)3-11)9(16)13-4-6(14)2-7(13)10(17)18/h5-7,14H,2-4,11H2,1H3,(H,12,15)(H,17,18)/t5-,6+,7-/m0/s1
InChIKey
KGGYQPXQVMSTRG-XVMARJQXSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
60.42
TPSA
132.96

LogP / Solubility

WLOGP
-2.5
MLOGP
-2.2
XLogP3
-4.6
Consensus LogP
-3.1
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly 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)
-6.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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