CAS RN: 645-88-5
Hydroxylamine, O-(carboxymethyl)-
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS645-88-5
- Purity/Analytical Methods: >99.0%
645-88-5 / 2-aminooxyacetic acid
Basic Information
CAS
645-88-5
Multi CAS
Yes
Molecular Formula
C2H5NO3
Molecular Weight
91.070000
Exact Mass
91.026943
InChI
InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
NQRKYASMKDDGHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
17.78
TPSA
72.55
LogP / Solubility
WLOGP
-1.04
MLOGP
-0.93
XLogP3
-3.4
Consensus LogP
-1.79
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
0.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
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)
-4.01
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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![CAS 651-48-9 10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/651-48-9.gif)
