[email protected]
CAS 1126824-72-3 7-Bromothieno[2,3-b]pyrazine molecular structure lightbox
CAS RN: 1126824-72-3

7-Bromothieno[2,3-b]pyrazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1126824-72-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1126824-72-3 / 7-bromothieno[2,3-b]pyrazine

7-Bromothieno[2,3-b]pyrazine | DTXSID10718280 | 7-bromothieno(2,3-b)pyrazine

Standard CAS: 1126824-72-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1126824-72-3
Multi CAS
No
Molecular Formula
C6H3BrN2S
Molecular Weight
215.070000
Exact Mass
213.920030
SMILES
C1=CN=C2C(=N1)C(=CS2)Br
InChI
InChI=1S/C6H3BrN2S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H
InChIKey
LKUNJISTXIJLSP-UHFFFAOYSA-N
Synonyms
7-Bromothieno[2,3-b]pyrazine DTXSID10718280 7-bromothieno(2,3-b)pyrazine RefChem:545963 DTXCID10669026

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.12
TPSA
25.78

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us