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CAS 68505-84-0 5-BROMO-3,3-DIMETHYL-2,3-DIHYDROBENZOFURAN molecular structure lightbox
CAS RN: 68505-84-0

5-BROMO-3,3-DIMETHYL-2,3-DIHYDROBENZOFURAN

  • Product code: SSC-178234
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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, 5g
  • Available purity: >95%
  • 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 68505-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

68505-84-0 / 5-bromo-3,3-dimethyl-2H-1-benzofuran

Standard CAS: 68505-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68505-84-0
Multi CAS
No
Molecular Formula
C10H11BRO
Molecular Weight
227.100000
Exact Mass
225.999330
InChI
InChI=1S/C10H11BrO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5H,6H2,1-2H3
InChIKey
GHLAFQZIMFGGDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
52.66
TPSA
9.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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