[email protected]
CAS 22118-12-3 2-Bromobutyryl Chloride molecular structure lightbox
CAS RN: 22118-12-3

2-Bromobutyryl Chloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-106402
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: 100g
  • Available purity: ≥98%
  • 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 22118-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

22118-12-3 / 2-bromobutanoyl chloride

Standard CAS: 22118-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22118-12-3
Multi CAS
No
Molecular Formula
C4H6BrClO
Molecular Weight
185.450000
Exact Mass
183.929060
SMILES
CCC(C(=O)Cl)Br
InChI
InChI=1S/C4H6BrClO/c1-2-3(5)4(6)7/h3H,2H2,1H3
InChIKey
DROZQELYZZXYSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.87
TPSA
17.07

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
2.5
Consensus LogP
2.04
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.48

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