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CAS 13184-14-0 LYS-LYS-LYS molecular structure lightbox
CAS RN: 13184-14-0

LYS-LYS-LYS

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS13184-14-0
  • Purity/Analytical Methods: >99.0%
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13184-14-0 / (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoic acid

Standard CAS: 13184-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13184-14-0
Multi CAS
No
Molecular Formula
C18H38N6O4
Molecular Weight
402.500000
Exact Mass
402.295454
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-/m0/s1
InChIKey
WBSCNDJQPKSPII-KKUMJFAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.83
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
7
Molar refractivity
108.19
TPSA
199.58

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.07
XLogP3
-5.6
Consensus LogP
-2.64
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.06

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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