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CAS 5746-03-2 “(2S, 1’R)/(2S, 1’S)-2-Amino-6-(1′-carboxy-ethylamino)-hexanoic acid” molecular structure lightbox
CAS RN: 5746-03-2

“(2S, 1’R)/(2S, 1’S)-2-Amino-6-(1′-carboxy-ethylamino)-hexanoic acid”

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 10mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 10mg In stock Shanghai, Guangdong Inquiry
Batchno.20260224 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5746-03-2
  • Purity/Analytical Methods: >99.0%
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5746-03-2 / (2S)-2-amino-6-(1-carboxyethylamino)hexanoic acid

Standard CAS: 5746-03-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5746-03-2
Multi CAS
Yes
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
InChI
InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKey
XCYPSOHOIAZISD-MLWJPKLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
54.56
TPSA
112.65

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.32
XLogP3
-5
Consensus LogP
-1.9
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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