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CAS 947614-94-0 2-BroMo-5-chloro-benzeneethanol molecular structure lightbox
CAS RN: 947614-94-0

2-BroMo-5-chloro-benzeneethanol

  • Product code: SSC-209959
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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 947614-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

947614-94-0 / 2-(2-bromo-5-chlorophenyl)ethanol

Standard CAS: 947614-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947614-94-0
Multi CAS
No
Molecular Formula
C8H8BRCLO
Molecular Weight
235.500000
Exact Mass
233.944710
InChI
InChI=1S/C8H8BrClO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKey
HAKYKQWZRSPYAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.94
TPSA
20.23

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.28

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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