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CAS 1935-18-8 Palmitoylcarnitine molecular structure lightbox
CAS RN: 1935-18-8

Palmitoylcarnitine

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg In stock Shanghai Inquiry
Batchno.20260312 10mg In stock Shanghai Inquiry
Batchno.20251221 25mg In stock Shanghai Inquiry
Batchno.20250824 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1935-18-8
  • Purity/Analytical Methods: >99.0%
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1935-18-8 / 3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate

Standard CAS: 1935-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935-18-8
Multi CAS
No
Molecular Formula
C23H45NO4
Molecular Weight
399.600000
Exact Mass
399.334859
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3
InChIKey
XOMRRQXKHMYMOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.91
Rotatable bonds
19
H-bond acceptors
4
Molar refractivity
112.72
TPSA
66.43

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
7.7
Consensus LogP
5.22
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.04
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)
-2.16

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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