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CAS 1948-31-8 L-Alanyl-L-alanine molecular structure lightbox
CAS RN: 1948-31-8

L-Alanyl-L-alanine

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250817 1g In stock Inquiry
Batchno.20250306 250mg In stock Inquiry
Batchno.20260117 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250211 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
  • Product code: starshine_CAS1948-31-8
  • Purity/Analytical Methods: >99.0%
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1948-31-8 / (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

Standard CAS: 1948-31-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1948-31-8
Multi CAS
No
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)N
InChI
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKey
DEFJQIDDEAULHB-IMJSIDKUSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.89
TPSA
92.42

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-3.3
Consensus LogP
-1.78
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
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)
-4.46

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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