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CAS 175278-10-1 3,5-DIBROMO-4-IODOTOLUENE molecular structure lightbox
CAS RN: 175278-10-1

3,5-DIBROMO-4-IODOTOLUENE

  • Product code: SSC-076932
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 175278-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry

175278-10-1 / 1,3-dibromo-2-iodo-5-methylbenzene

Standard CAS: 175278-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175278-10-1
Multi CAS
No
Molecular Formula
C7H5Br2I
Molecular Weight
375.830000
Exact Mass
375.778220
SMILES
CC1=CC(=C(C(=C1)Br)I)Br
InChI
InChI=1S/C7H5Br2I/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
VLVXYJATBIXIPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
59.3
TPSA
0.0000

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
4.3
Consensus LogP
4.02
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

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

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