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CAS 850213-59-1 (5-BroMo-2,4-difluorophenyl)Methanol molecular structure lightbox
CAS RN: 850213-59-1

(5-BroMo-2,4-difluorophenyl)Methanol

  • Product code: SSC-192897
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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: 1g
  • 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 850213-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

850213-59-1 / (5-bromo-2,4-difluorophenyl)methanol

Standard CAS: 850213-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850213-59-1
Multi CAS
No
Molecular Formula
BC7H5ORf2
Molecular Weight
223.010000
Exact Mass
221.949180
InChI
InChI=1S/C7H5BrF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2,11H,3H2
InChIKey
ZKMCKSZOHXHRIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.98
TPSA
20.23

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.5

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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