[email protected]
CAS 104408-28-8 2(1H)-Pyrimidinone, 5-fluoro-, hydrazone (9CI) molecular structure lightbox
CAS RN: 104408-28-8

2(1H)-Pyrimidinone, 5-fluoro-, hydrazone (9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS104408-28-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

104408-28-8 / (5-fluoropyrimidin-2-yl)hydrazine

5-Fluoro-2-hydrazinylpyrimidine | RefChem:535791 | 958-166-3

Standard CAS: 104408-28-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104408-28-8
Multi CAS
Yes
Molecular Formula
C4H5FN4
Molecular Weight
128.110000
Exact Mass
128.049824
SMILES
C1=C(C=NC(=N1)NN)F
InChI
InChI=1S/C4H5FN4/c5-3-1-7-4(9-6)8-2-3/h1-2H,6H2,(H,7,8,9)
InChIKey
GBEDYDITEBFPGM-UHFFFAOYSA-N
Synonyms
5-Fluoro-2-hydrazinylpyrimidine RefChem:535791 958-166-3 (5-fluoropyrimidin-2-yl)hydrazine 5-fluoro-2-hydrazinylidene-1,2-dihydropyrimidine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
29.8
TPSA
63.83

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.57

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us