[email protected]
CAS 874959-69-0 5-bromo-2-[(phenylmethyl)thio]pyridine molecular structure lightbox
CAS RN: 874959-69-0

5-bromo-2-[(phenylmethyl)thio]pyridine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg / 250mg Confirm by inquiry Shandong Inquiry
  • Product code: SSC-197550
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: 1g
  • 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 874959-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

874959-69-0 / 2-benzylsulfanyl-5-bromopyridine

Standard CAS: 874959-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874959-69-0
Multi CAS
No
Molecular Formula
BC12H10RnS
Molecular Weight
280.190000
Exact Mass
278.971730
InChI
InChI=1S/C12H10BrNS/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
XWONVDPMDHBXBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.94
TPSA
12.89

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.9
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-1.49

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