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CAS 186787-32-6 H-GLY-GLY-GLN-OH molecular structure lightbox
CAS RN: 186787-32-6

H-GLY-GLY-GLN-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS186787-32-6
  • Purity/Analytical Methods: >99.0%
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186787-32-6 / (2S)-5-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-oxopentanoic acid

Standard CAS: 186787-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186787-32-6
Multi CAS
No
Molecular Formula
C9H16N4O5
Molecular Weight
260.250000
Exact Mass
260.112070
SMILES
C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CNC(=O)CN
InChI
InChI=1S/C9H16N4O5/c10-3-7(15)12-4-8(16)13-5(9(17)18)1-2-6(11)14/h5H,1-4,10H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/t5-/m0/s1
InChIKey
QPTNELDXWKRIFX-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
60.06
TPSA
164.61

LogP / Solubility

WLOGP
-3.1
MLOGP
-2.72
XLogP3
-5.5
Consensus LogP
-3.77
Log S (ESOL)
1.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
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)
-6.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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