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CAS 313545-43-6 1-BroMo-2-chloro-4-ethoxybenzene molecular structure lightbox
CAS RN: 313545-43-6

1-BroMo-2-chloro-4-ethoxybenzene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250605 100g In stock Inquiry
Batchno.20260322 1g In stock Inquiry
Batchno.20250823 25g In stock Inquiry
Batchno.20250917 5g In stock Inquiry
  • Product code: SSC-136707
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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: ＞97%
  • 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 313545-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

313545-43-6 / 1-bromo-2-(2-chloroethoxy)benzene

Standard CAS: 313545-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
313545-43-6
Multi CAS
Yes
Molecular Formula
C8H8BRCLO
Molecular Weight
235.500000
Exact Mass
233.944710
InChI
InChI=1S/C8H8BrClO/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
InChIKey
QOVFYQVZTTUBMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.36
TPSA
9.23

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.98

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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