[email protected]
CAS 1193334-67-6 5-bromo-1-cyclopropylpyridin-2(1H)-one molecular structure lightbox
CAS RN: 1193334-67-6

5-bromo-1-cyclopropylpyridin-2(1H)-one

  • Product code: SSC-019877
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1193334-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

1193334-67-6 / 5-bromo-1-cyclopropylpyridin-2-one

5-BROMO-1-CYCLOPROPYLPYRIDIN-2(1H)-ONE | MFCD16996101 | 5-bromo-1-cyclopropylpyridin-2-one

Standard CAS: 1193334-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1193334-67-6
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1CC1N2C=C(C=CC2=O)Br
InChI
InChI=1S/C8H8BrNO/c9-6-1-4-8(11)10(5-6)7-2-3-7/h1,4-5,7H,2-3H2
InChIKey
KBOWYXFBNDBZTM-UHFFFAOYSA-N
Synonyms
5-BROMO-1-CYCLOPROPYLPYRIDIN-2(1H)-ONE MFCD16996101 5-bromo-1-cyclopropylpyridin-2-one SCHEMBL589967 KBOWYXFBNDBZTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.67
TPSA
22

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.69
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2.64

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