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CAS 91725-36-9 3-Hydroxy-1-propenyl-trimethylammonium chloride molecular structure lightbox
CAS RN: 91725-36-9

3-Hydroxy-1-propenyl-trimethylammonium chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91725-36-9
  • Purity/Analytical Methods: >99.0%
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91725-36-9 / [(E)-3-hydroxyprop-1-enyl]-trimethylazanium chloride

Standard CAS: 91725-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91725-36-9
Multi CAS
Yes
Molecular Formula
C6H14CLNO
Molecular Weight
151.630000
Exact Mass
151.076392
InChI
InChI=1S/C6H14NO.ClH/c1-7(2,3)5-4-6-8;/h4-5,8H,6H2,1-3H3;1H/q+1;/p-1/b5-4+;
InChIKey
YNOXNFMGWKAPBC-FXRZFVDSSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.26
TPSA
20.23

LogP / Solubility

WLOGP
-2.8
MLOGP
-2.47
XLogP3
-2.8
Consensus LogP
-2.69
Log S (ESOL)
1.11
Class (ESOL)
Highly soluble
Log S (Ali)
1.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.44
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)
-5.63

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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