[email protected]
CAS 1060812-89-6 1-(5-BROMOPYRIDIN-2-YL)PROPAN-1-ONE molecular structure lightbox
CAS RN: 1060812-89-6

1-(5-BROMOPYRIDIN-2-YL)PROPAN-1-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007848
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: ＞97%
  • 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 1060812-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1060812-89-6 / 1-(5-bromo-2-pyridinyl)propan-1-one

1-(5-BROMOPYRIDIN-2-YL)PROPAN-1-ONE | 1-(5-bromo-2-pyridyl)propan-1-one | MFCD13189498

Standard CAS: 1060812-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060812-89-6
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
CCC(=O)C1=NC=C(C=C1)Br
InChI
InChI=1S/C8H8BrNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKey
RUUTUNOCCNRQGP-UHFFFAOYSA-N
Synonyms
1-(5-BROMOPYRIDIN-2-YL)PROPAN-1-ONE 1-(5-bromo-2-pyridyl)propan-1-one MFCD13189498 1-(5-Bromo-pyridin-2-yl)-propan-1-one SCHEMBL14280836

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.56
TPSA
29.96

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.3

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