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CAS 6303-59-9 P-(2-BROMO)VINYL ANISOLE molecular structure lightbox
CAS RN: 6303-59-9

P-(2-BROMO)VINYL ANISOLE

  • Product code: SSC-172528
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 6303-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

6303-59-9 / 1-(2-bromoethenyl)-4-methoxybenzene

Standard CAS: 6303-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6303-59-9
Multi CAS
Yes
Molecular Formula
C9H9BRO
Molecular Weight
213.070000
Exact Mass
211.983680
InChI
InChI=1S/C9H9BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6+
InChIKey
MNSBHZNBVJAJND-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.96
TPSA
9.23

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-1.85

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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