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CAS 17043-71-9 H-LYS-ALA-OH HYDROBROMIDE SALT molecular structure lightbox
CAS RN: 17043-71-9

H-LYS-ALA-OH HYDROBROMIDE SALT

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17043-71-9
  • Purity/Analytical Methods: >99.0%
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17043-71-9 / (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid

Standard CAS: 17043-71-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
17043-71-9
Multi CAS
No
Molecular Formula
C9H19N3O3
Molecular Weight
217.270000
Exact Mass
217.142641
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKey
QOOWRKBDDXQRHC-BQBZGAKWSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
56.12
TPSA
118.44

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.85
XLogP3
-3.5
Consensus LogP
-1.77
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-4.73

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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