CAS RN: 78-73-9

Choline bicarbonate

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: starshine_CAS78-73-9
  • Purity/Analytical Methods: >99.0%
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78-73-9 / hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium

Standard CAS: 78-73-9 Multi CAS: Yes

Basic Information

CAS
78-73-9
Multi CAS
Yes
Molecular Formula
C6H15NO4
Molecular Weight
165.190000
Exact Mass
165.100108
InChI
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M

Physical Properties

Physical Description
Solid; [ECHA REACH Registrations]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.01
TPSA
80.59

LogP / Solubility

WLOGP
-1.43
MLOGP
-1.26
XLogP3
-1.43
Consensus LogP
-1.37
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
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)
-4.74

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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