[email protected]
CAS 814-75-5 3-BROMO-2-BUTANONE molecular structure lightbox
CAS RN: 814-75-5

3-BROMO-2-BUTANONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-189855
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: 1g, 5g, 0.25g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 814-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

814-75-5 / 3-bromobutan-2-one

Standard CAS: 814-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
814-75-5
Multi CAS
Yes
Molecular Formula
C4H7BRO
Molecular Weight
151.000000
Exact Mass
149.968030
InChI
InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey
BNBOUFHCTIFWHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.07
TPSA
17.07

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us