Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
15485-97-9 / N',2-dihydroxy-2-methylpropanimidamide
Basic Information
CAS
15485-97-9
Multi CAS
No
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
SMILES
CC(C)(C(=NO)N)O
InChI
InChI=1S/C4H10N2O2/c1-4(2,7)3(5)6-8/h7-8H,1-2H3,(H2,5,6)
InChIKey
WNNSNZSHDOGSHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.71
TPSA
78.84
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.7
Consensus LogP
-0.55
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
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)
-3.79
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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