[email protected]
CAS 97511-06-3 1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE molecular structure lightbox
CAS RN: 97511-06-3

1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS97511-06-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

97511-06-3 / 1-(1-benzothiophen-2-yl)-2-bromoethanone

Standard CAS: 97511-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97511-06-3
Multi CAS
No
Molecular Formula
C10H7BROS
Molecular Weight
255.130000
Exact Mass
253.940100
InChI
InChI=1S/C10H7BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
InChIKey
WVTSOGFICBVCRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.95
TPSA
17.07

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.7
Consensus LogP
3.42
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us