CAS RN: 31461-63-9

GLY-LYS HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31461-63-9
  • Purity/Analytical Methods: >99.0%
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31461-63-9 / 6-amino-2-[(2-aminoacetyl)amino]hexanoic acid;hydrochloride

Standard CAS: 31461-63-9 Multi CAS: Yes

Basic Information

CAS
31461-63-9
Multi CAS
Yes
Molecular Formula
C8H18CLN3O3
Molecular Weight
239.700000
Exact Mass
239.103669
InChI
InChI=1S/C8H17N3O3.ClH/c9-4-2-1-3-6(8(13)14)11-7(12)5-10;/h6H,1-5,9-10H2,(H,11,12)(H,13,14);1H/t6-;/m0./s1
InChIKey
KCHSMZJVQBTUHR-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
58.77
TPSA
118.44

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.82
XLogP3
-0.93
Consensus LogP
-0.89
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-4.85

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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