[email protected]
CAS 1782669-70-8 2-Bromo-7-chlorobenzo[b]thiophene molecular structure lightbox
CAS RN: 1782669-70-8

2-Bromo-7-chlorobenzo[b]thiophene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1782669-70-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1782669-70-8 / 2-bromo-7-chloro-1-benzothiophene

Standard CAS: 1782669-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782669-70-8
Multi CAS
No
Molecular Formula
C8H4BrClS
Molecular Weight
247.540000
Exact Mass
245.890560
SMILES
C1=CC2=C(C(=C1)Cl)SC(=C2)Br
InChI
InChI=1S/C8H4BrClS/c9-7-4-5-2-1-3-6(10)8(5)11-7/h1-4H
InChIKey
IFBOQMAXAMAJQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
54.54
TPSA
28.2000

LogP / Solubility

WLOGP
4.32
MLOGP
3.8
XLogP3
4.6
Consensus LogP
4.24
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

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