CAS RN: 565207-40-1
N-BUTYL-2-(N-HYDROXYCARBAMIMIDOYL)-ACETAMIDE
- Product code: SSC-164508
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
565207-40-1 / 3-amino-N-butyl-3-hydroxyiminopropanamide
Basic Information
CAS
565207-40-1
Multi CAS
Yes
Molecular Formula
C7H15N3O2
Molecular Weight
173.210000
Exact Mass
173.116427
InChI
InChI=1S/C7H15N3O2/c1-2-3-4-9-7(11)5-6(8)10-12/h12H,2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKey
KYELVRYIHJBZBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.94
TPSA
87.71
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
0.1
Consensus LogP
0.06
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.75
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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