CAS RN: 25597-09-5

STEAROYL-L-CARNITINE

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250331 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong 1 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 100mg In stock Shanghai Inquiry
Batchno.20250715 10mg In stock Shanghai Inquiry
Batchno.20260225 1g Out of stock Inquiry
Batchno.20251204 250mg In stock Shanghai Inquiry
Batchno.20251226 25mg In stock Shanghai Inquiry
Batchno.20250520 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS25597-09-5
  • Purity/Analytical Methods: >99.0%
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25597-09-5 / 3-octadecanoyloxy-4-(trimethylazaniumyl)butanoate

Standard CAS: 25597-09-5 Multi CAS: No

Basic Information

CAS
25597-09-5
Multi CAS
No
Molecular Formula
C25H49NO4
Molecular Weight
427.700000
Exact Mass
427.366159
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3
InChIKey
FNPHNLNTJNMAEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.92
Rotatable bonds
21
H-bond acceptors
4
Molar refractivity
121.95
TPSA
66.43

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
8.8
Consensus LogP
6.08
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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