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CAS 27174-15-8 Glycyl-DL-threonine molecular structure lightbox
CAS RN: 27174-15-8

Glycyl-DL-threonine

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 1g In stock Inquiry
Batchno.20251022 250mg In stock Inquiry
Batchno.20250804 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251122 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: ICTG0142
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27174-15-8 / (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid

Standard CAS: 27174-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27174-15-8
Multi CAS
No
Molecular Formula
C6H12N2O4
Molecular Weight
176.170000
Exact Mass
176.079707
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)CN)O
InChI
InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m1/s1
InChIKey
OLIFSFOFKGKIRH-WUJLRWPWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
40.3
TPSA
112.65

LogP / Solubility

WLOGP
-2.1
MLOGP
-1.85
XLogP3
-4.1
Consensus LogP
-2.68
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
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)
-5.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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