CAS RN: 689-13-4
hadacidin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260625 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS689-13-4
- Purity/Analytical Methods: >99.0%
689-13-4 / 2-[formyl(hydroxy)amino]acetic acid
Basic Information
CAS
689-13-4
Multi CAS
No
Molecular Formula
C3H5NO4
Molecular Weight
119.080000
Exact Mass
119.021858
InChI
InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
InChIKey
URJHVPKUWOUENU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
22.19
TPSA
77.84
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.96
XLogP3
-1.2
Consensus LogP
-1.08
Log S (ESOL)
0.3
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
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)
-4.21
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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