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CAS 2489-13-6 H-GLY-HIS-OH molecular structure lightbox
CAS RN: 2489-13-6

H-GLY-HIS-OH

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250508 1g In stock Shanghai Inquiry
Batchno.20251117 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS2489-13-6
  • Purity/Analytical Methods: >99.0%
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2489-13-6 / (2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoic acid

Standard CAS: 2489-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2489-13-6
Multi CAS
No
Molecular Formula
C8H12N4O3
Molecular Weight
212.210000
Exact Mass
212.090940
SMILES
C1=NC=NC1C[C@@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-6H,1-2,9H2,(H,12,13)(H,14,15)/t5?,6-/m0/s1
InChIKey
RXAOVSDTBKWPLP-GDVGLLTNSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
54.01
TPSA
117.14

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.42
XLogP3
-4.4
Consensus LogP
-2.48
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
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)
-5.16

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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