[email protected]
CAS 1379358-35-6 4-broMo-5-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1379358-35-6

4-broMo-5-(trifluoroMethyl)-1H-pyrrolo[2,3-b]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.20251225 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1379358-35-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1379358-35-6 / 4-bromo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 1379358-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379358-35-6
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=CNC2=NC=C(C(=C21)Br)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2/c9-6-4-1-2-13-7(4)14-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey
LIPCHFKGURKZPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us