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CAS 6538-82-5 LEVOCARNITINE RELATED COMPOUND A (100 MG) (3-CARBOXY-N,N,N-TRIMETHYL-2-PROPEN-1-AMINIUM CHLORIDE) molecular structure lightbox
CAS RN: 6538-82-5

LEVOCARNITINE RELATED COMPOUND A (100 MG) (3-CARBOXY-N,N,N-TRIMETHYL-2-PROPEN-1-AMINIUM CHLORIDE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 10mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6538-82-5
  • Purity/Analytical Methods: >99.0%
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6538-82-5 / 3-carboxyprop-2-enyl(trimethyl)azanium chloride

Standard CAS: 6538-82-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6538-82-5
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4+;
InChIKey
PUKNFWRLBQXPFL-FXRZFVDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.68
TPSA
37.3

LogP / Solubility

WLOGP
-2.66
MLOGP
-2.35
XLogP3
-2.66
Consensus LogP
-2.56
Log S (ESOL)
0.92
Class (ESOL)
Highly soluble
Log S (Ali)
0.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.02
Class (SILICOS-IT)
Highly 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)
-5.71

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
1.5

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