[email protected]
CAS 1003706-87-3 4-BROMO-5-FLUOROPYRIMIDINE molecular structure lightbox
CAS RN: 1003706-87-3

4-BROMO-5-FLUOROPYRIMIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1003706-87-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1003706-87-3 / 4-bromo-5-fluoropyrimidine

4-Bromo-5-fluoropyrimidine | DTXSID40660788 | RefChem:290942

Standard CAS: 1003706-87-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1003706-87-3
Multi CAS
No
Molecular Formula
C4H2BrFN2
Molecular Weight
176.970000
Exact Mass
175.938540
SMILES
C1=C(C(=NC=N1)Br)F
InChI
InChI=1S/C4H2BrFN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKey
PPJOFMHOVLXHPA-UHFFFAOYSA-N
Synonyms
4-Bromo-5-fluoropyrimidine DTXSID40660788 RefChem:290942 DTXCID80611537 Pyrimidine, 4-bromo-5-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
29.69
TPSA
25.78

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us