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CAS 1097211-38-5 (R)-2-BROMO-1-(4-FLUOROPHENYL)ETHANOL molecular structure lightbox
CAS RN: 1097211-38-5

(R)-2-BROMO-1-(4-FLUOROPHENYL)ETHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-011070
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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 1097211-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1097211-38-5 / (1R)-2-bromo-1-(4-fluorophenyl)ethanol

2-bromo-1-(4-fluorophenyl)ethanol | 2-bromo-1-(4-fluorophenyl)ethan-1-ol | MFCD14540493

Standard CAS: 1097211-38-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1097211-38-5
Multi CAS
Yes
Molecular Formula
C8H8BrFO
Molecular Weight
219.050000
Exact Mass
217.974260
SMILES
C1=CC(=CC=C1[C@H](CBr)O)F
InChI
InChI=1S/C8H8BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2/t8-/m0/s1
InChIKey
BLCAVFHRXRACAU-QMMMGPOBSA-N
Synonyms
2-bromo-1-(4-fluorophenyl)ethanol 2-bromo-1-(4-fluorophenyl)ethan-1-ol MFCD14540493 SCHEMBL6283399 AKOS017560467

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
45.15
TPSA
20.23

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.46

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
2

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