CAS RN: 342611-14-7
2-AMINOETHANE-D4-SULFONIC ACID
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.20260531 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS342611-14-7
- Purity/Analytical Methods: >99.0%
342611-14-7 / 2-amino-1,1,2,2-tetradeuterioethanesulfonic acid
Basic Information
CAS
342611-14-7
Multi CAS
Yes
Molecular Formula
C2H7NO3S
Molecular Weight
129.170000
Exact Mass
129.039771
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1D2,2D2
InChIKey
XOAAWQZATWQOTB-LNLMKGTHSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.47
TPSA
80.39
LogP / Solubility
WLOGP
-1.17
MLOGP
-1.04
XLogP3
-4.1
Consensus LogP
-2.1
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
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)
-4.31
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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