[email protected]
CAS 144450-58-8 2,4-Dibromo-1,5-difluoro-3-nitrobenzene molecular structure lightbox
CAS RN: 144450-58-8

2,4-Dibromo-1,5-difluoro-3-nitrobenzene

  • Product code: SSC-055654
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: 0.25g, 1g, 5g, 10g
  • 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 144450-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

144450-58-8 / 2,4-dibromo-1,5-difluoro-3-nitrobenzene

Standard CAS: 144450-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144450-58-8
Multi CAS
No
Molecular Formula
C6HBr2F2NO2
Molecular Weight
316.880000
Exact Mass
316.832160
SMILES
C1=C(C(=C(C(=C1F)Br)[N+](=O)[O-])Br)F
InChI
InChI=1S/C6HBr2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChIKey
FHUKPGATLLJKLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.41
TPSA
43.14

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us