[email protected]
CAS 1500179-97-4 4-Bromo-5-iodopyrimidine molecular structure lightbox
CAS RN: 1500179-97-4

4-Bromo-5-iodopyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1500179-97-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1500179-97-4 / 4-bromo-5-iodopyrimidine

Standard CAS: 1500179-97-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1500179-97-4
Multi CAS
No
Molecular Formula
C4H2BrIN2
Molecular Weight
284.880000
Exact Mass
283.844610
SMILES
C1=C(C(=NC=N1)Br)I
InChI
InChI=1S/C4H2BrIN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKey
DLNZWLYQCGIJON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
42.45
TPSA
25.78

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us