CAS RN: 946-48-5
1-(5-Nitrofurfurylidene)aminoguanidine Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTN0545
- Purity/Analytical Methods: >99.0%(T)
946-48-5 / 2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine;hydrochloride
Basic Information
CAS
946-48-5
Multi CAS
Yes
Molecular Formula
C6H8CLN5O3
Molecular Weight
233.610000
Exact Mass
233.031567
InChI
InChI=1S/C6H7N5O3.ClH/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13;/h1-3H,(H4,7,8,10);1H/b9-3+;
InChIKey
CHJIFAUFPHYNTD-JSGFVSQVSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.01
TPSA
133.04
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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