[email protected]
CAS 1381944-78-0 5-BroMo-2-(5-broMo-2-Methoxyphenoxy)pyridine molecular structure lightbox
CAS RN: 1381944-78-0

5-BroMo-2-(5-broMo-2-Methoxyphenoxy)pyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1381944-78-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1381944-78-0 / 5-bromo-2-(5-bromo-2-methoxyphenoxy)pyridine

Standard CAS: 1381944-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1381944-78-0
Multi CAS
No
Molecular Formula
C12H9Br2NO2
Molecular Weight
359.010000
Exact Mass
358.897950
SMILES
COC1=C(C=C(C=C1)Br)OC2=NC=C(C=C2)Br
InChI
InChI=1S/C12H9Br2NO2/c1-16-10-4-2-8(13)6-11(10)17-12-5-3-9(14)7-15-12/h2-7H,1H3
InChIKey
CRDLOBPTEZUWSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.71
TPSA
31.35

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.1
Consensus LogP
4.14
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78

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