[email protected]
CAS 17298-37-2 (+/-)-PROPIONYLCARNITINE CHLORIDE molecular structure lightbox
CAS RN: 17298-37-2

(+/-)-PROPIONYLCARNITINE CHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 5mg / 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17298-37-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17298-37-2 / 3-propanoyloxy-4-(trimethylazaniumyl)butanoate

Standard CAS: 17298-37-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17298-37-2
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
UFAHZIUFPNSHSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
52.69
TPSA
66.43

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.74
XLogP3
0.9
Consensus LogP
-0.23
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us