CAS RN: 1794713-69-1
2-AMino-3-chloro-propionohydroxaMic-15N,d3 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.20260201 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794713-69-1
- Purity/Analytical Methods: >99.0%
1794713-69-1 / 2-amino-3-chloro-2,3,3-trideuterio-N-hydroxypropan(15N)amide
Basic Information
CAS
1794713-69-1
Multi CAS
No
Molecular Formula
C3H7ClN2O2
Molecular Weight
142.560000
Exact Mass
142.035470
SMILES
[2H]C([2H])(C([2H])(C(=O)[15NH]O)N)Cl
InChI
InChI=1S/C3H7ClN2O2/c4-1-2(5)3(7)6-8/h2,8H,1,5H2,(H,6,7)/i1D2,2D,6+1
InChIKey
QCWBXJPECQJXKJ-DJFSABLTSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
28.62
TPSA
75.35
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.84
XLogP3
-1.2
Consensus LogP
-0.99
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.02
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23
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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