CAS RN: 6285-64-9
2-FORMAMIDINO-2-PHENYLDIAZOACETAMIDE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6285-64-9
- Purity/Analytical Methods: >99.0%
6285-64-9 / 3-amino-3-imino-2-phenyldiazenylpropanamide;hydrochloride
Basic Information
CAS
6285-64-9
Multi CAS
Yes
Molecular Formula
C9H12CLN5O
Molecular Weight
241.680000
Exact Mass
241.073038
InChI
InChI=1S/C9H11N5O.ClH/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6;/h1-5,7H,(H3,10,11)(H2,12,15);1H
InChIKey
MWOBRIPIRLAVII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.1
TPSA
117.68
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
