CAS RN: 13204-98-3

5-HYDROXY-DL-LYSINE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250604 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS13204-98-3
  • Purity/Analytical Methods: >99.0%
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13204-98-3 / 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride

Standard CAS: 13204-98-3 Multi CAS: No

Basic Information

CAS
13204-98-3
Multi CAS
No
Molecular Formula
C6H15ClN2O3
Molecular Weight
198.650000
Exact Mass
198.077120
SMILES
C(CC(C(=O)O)N)C(CN)O.Cl
InChI
InChI=1S/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H
InChIKey
MJXVOTKVFFAZQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.15
TPSA
109.57

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-1.08
Consensus LogP
-1.04
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very 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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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