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CAS 104584-11-4 AC-LYS-NH2 HCL molecular structure lightbox
CAS RN: 104584-11-4

AC-LYS-NH2 HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS104584-11-4
  • Purity/Analytical Methods: >99.0%
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104584-11-4 / (2S)-2-acetamido-6-aminohexanamide;hydrochloride

N-Acetyl-L-Lysine Amide Hydrochloride | DB-266062

Standard CAS: 104584-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104584-11-4
Multi CAS
Yes
Molecular Formula
C8H18ClN3O2
Molecular Weight
223.700000
Exact Mass
223.108755
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)N.Cl
InChI
InChI=1S/C8H17N3O2.ClH/c1-6(12)11-7(8(10)13)4-2-3-5-9;/h7H,2-5,9H2,1H3,(H2,10,13)(H,11,12);1H/t7-;/m0./s1
InChIKey
LPMFSHANWDFTBS-FJXQXJEOSA-N
Synonyms
N-Acetyl-L-Lysine Amide Hydrochloride DB-266062

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.95
TPSA
98.21

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.47
Consensus LogP
-0.45
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-4.42

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

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