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CAS 23284-33-5 N-EPSILON,N-EPSILON,N-EPSILON-TRIMETHYLLYSINE molecular structure lightbox
CAS RN: 23284-33-5

N-EPSILON,N-EPSILON,N-EPSILON-TRIMETHYLLYSINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23284-33-5
  • Purity/Analytical Methods: >99.0%
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23284-33-5 / 2-amino-6-(trimethylazaniumyl)hexanoate

Standard CAS: 23284-33-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
23284-33-5
Multi CAS
Yes
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
InChI
InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKey
MXNRLFUSFKVQSK-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.73
TPSA
66.15

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.93
XLogP3
-1.6
Consensus LogP
-1.2
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-4.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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