[email protected]
CAS 816-40-0 1-BROMO-2-BUTANONE molecular structure lightbox
CAS RN: 816-40-0

1-BROMO-2-BUTANONE

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-190004
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 816-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

816-40-0 / 1-bromobutan-2-one

Standard CAS: 816-40-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
816-40-0
Multi CAS
Yes
Molecular Formula
C4H7BRO
Molecular Weight
151.000000
Exact Mass
149.968030
InChI
InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3
InChIKey
CCXQVBSQUQCEEO-UHFFFAOYSA-N

Physical Properties

Physical Description
1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
29.09
TPSA
17.07

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.68

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
1.5

Customers Also Viewed

Get In Touch

Contact Us