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CAS 344298-95-9 ACETYLCHOLINE-D9 CHLORIDE molecular structure lightbox
CAS RN: 344298-95-9

ACETYLCHOLINE-D9 CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 50mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS344298-95-9
  • Purity/Analytical Methods: >99.0%
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344298-95-9 / 2-acetyloxyethyl-tris(trideuteriomethyl)azanium chloride

Standard CAS: 344298-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
344298-95-9
Multi CAS
Yes
Molecular Formula
C7H16CLNO2
Molecular Weight
190.710000
Exact Mass
190.143447
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
InChIKey
JUGOREOARAHOCO-WWMMTMLWSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
39.53
TPSA
26.3

LogP / Solubility

WLOGP
-2.74
MLOGP
-2.41
XLogP3
-2.74
Consensus LogP
-2.63
Log S (ESOL)
0.96
Class (ESOL)
Highly soluble
Log S (Ali)
0.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.07
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)
-5.77

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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