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CAS 24570-39-6 AC-LYS(AC)-D-ALA-D-ALA-OH molecular structure lightbox
CAS RN: 24570-39-6

AC-LYS(AC)-D-ALA-D-ALA-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24570-39-6
  • Purity/Analytical Methods: >99.0%
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24570-39-6 / (2R)-2-[[(2R)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoyl]amino]propanoic acid

Standard CAS: 24570-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24570-39-6
Multi CAS
No
Molecular Formula
C16H28N4O6
Molecular Weight
372.420000
Exact Mass
372.200885
SMILES
C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C
InChI
InChI=1S/C16H28N4O6/c1-9(14(23)19-10(2)16(25)26)18-15(24)13(20-12(4)22)7-5-6-8-17-11(3)21/h9-10,13H,5-8H2,1-4H3,(H,17,21)(H,18,24)(H,19,23)(H,20,22)(H,25,26)/t9-,10-,13-/m0/s1
InChIKey
VIHGYLJIMMKSBR-KWBADKCTSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
5
Molar refractivity
92.98
TPSA
153.7

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.95
XLogP3
-1
Consensus LogP
-1.02
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-5.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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