[email protected]
CAS 28049-62-9 1-(2-Bromophenyl)-cyclobutanecarbonitrile molecular structure lightbox
CAS RN: 28049-62-9

1-(2-Bromophenyl)-cyclobutanecarbonitrile

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260310 100mg Out of stock Inquiry
Batchno.20260321 1g Out of stock Inquiry
Batchno.20250916 250mg Out of stock Inquiry
  • Product code: SSC-128688
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28049-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

28049-62-9 / 1-(2-bromophenyl)cyclobutane-1-carbonitrile

Standard CAS: 28049-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28049-62-9
Multi CAS
No
Molecular Formula
C11H10BrN
Molecular Weight
236.110000
Exact Mass
234.999660
SMILES
C1CC(C1)(C#N)C2=CC=CC=C2Br
InChI
InChI=1S/C11H10BrN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKey
WQNBUMDTSAQSMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.28
TPSA
23.79

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

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