[email protected]
CAS 941294-40-2 5-Bromo-4-(3-methoxyphenyl)pyrimidine molecular structure lightbox
CAS RN: 941294-40-2

5-Bromo-4-(3-methoxyphenyl)pyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS941294-40-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

941294-40-2 / 5-bromo-4-(3-methoxyphenyl)pyrimidine

Standard CAS: 941294-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
941294-40-2
Multi CAS
No
Molecular Formula
BC11H9ORn2
Molecular Weight
265.110000
Exact Mass
263.989830
InChI
InChI=1S/C11H9BrN2O/c1-15-9-4-2-3-8(5-9)11-10(12)6-13-7-14-11/h2-7H,1H3
InChIKey
RLIIAQQLKMFFSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.72
TPSA
35.01

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-2.27

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us