[email protected]
CAS 1246471-30-6 2-Bromo-1-(2-bromo-4,6-dimethylphenyl)ethanone molecular structure lightbox
CAS RN: 1246471-30-6

2-Bromo-1-(2-bromo-4,6-dimethylphenyl)ethanone

  • Product code: SSC-028668
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, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1246471-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1246471-30-6 / 2-bromo-1-(2-bromo-4,6-dimethylphenyl)ethanone

Standard CAS: 1246471-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246471-30-6
Multi CAS
No
Molecular Formula
C10H10Br2O
Molecular Weight
305.990000
Exact Mass
305.907790
SMILES
CC1=CC(=C(C(=C1)Br)C(=O)CBr)C
InChI
InChI=1S/C10H10Br2O/c1-6-3-7(2)10(8(12)4-6)9(13)5-11/h3-4H,5H2,1-2H3
InChIKey
XZTGWLXJXCOBJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.74
TPSA
17.07

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us