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CAS 37941-54-1 Z-LYS(Z)-GLY-OH molecular structure lightbox
CAS RN: 37941-54-1

Z-LYS(Z)-GLY-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37941-54-1
  • Purity/Analytical Methods: >99.0%
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37941-54-1 / 2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]acetic acid

Standard CAS: 37941-54-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37941-54-1
Multi CAS
Yes
Molecular Formula
C24H29N3O7
Molecular Weight
471.500000
Exact Mass
471.200550
InChI
InChI=1S/C24H29N3O7/c28-21(29)15-26-22(30)20(27-24(32)34-17-19-11-5-2-6-12-19)13-7-8-14-25-23(31)33-16-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H,25,31)(H,26,30)(H,27,32)(H,28,29)/t20-/m0/s1
InChIKey
YMHXRKMCTBMGTQ-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
122.68
TPSA
143.06

LogP / Solubility

WLOGP
2.58
MLOGP
2.3
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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