CAS RN: 936097-37-9
2-Cyclopropyl-2-(hydroxyimino)acetic acid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260517 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC926379
936097-37-9 / 2-cyclopropyl-2-hydroxyiminoacetic acid
Basic Information
CAS
936097-37-9
Multi CAS
Yes
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
InChI
InChI=1S/C5H7NO3/c7-5(8)4(6-9)3-1-2-3/h3,9H,1-2H2,(H,7,8)
InChIKey
NHMGZOVZUSJJTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.58
TPSA
69.89
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
0.9
Consensus LogP
0.49
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.29
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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