CAS RN: 918-04-7
ACETALDEHYDE SODIUM BISULFITE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS918-04-7
- Purity/Analytical Methods: >99.0%
918-04-7 / sodium 1-hydroxyethanesulfonate
Basic Information
CAS
918-04-7
Multi CAS
Yes
Molecular Formula
C2H5NAO4S
Molecular Weight
148.120000
Exact Mass
147.980624
InChI
InChI=1S/C2H6O4S.Na/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1
InChIKey
CZDZQGXAHZVGPL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
21.38
TPSA
77.43
LogP / Solubility
WLOGP
-4.13
MLOGP
-3.64
XLogP3
-4.13
Consensus LogP
-3.97
Log S (ESOL)
1.91
Class (ESOL)
Highly soluble
Log S (Ali)
2.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.68
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)
-6.55
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
2
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