[email protected]
CAS 499785-50-1 4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE, 97 molecular structure lightbox
CAS RN: 499785-50-1

4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE, 97

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250714 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS499785-50-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

499785-50-1 / 4-(4-bromophenyl)-2-methylpyrimidine

Standard CAS: 499785-50-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499785-50-1
Multi CAS
No
Molecular Formula
BC11H9Rn2
Molecular Weight
249.110000
Exact Mass
247.994910
InChI
InChI=1S/C11H9BrN2/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKey
ONNFCICFTHMQHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.91
TPSA
25.78

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us