[email protected]
CAS 1026088-11-8 (1S)-1-(4-Bromo-2-fluorophenyl)ethan-1-ol molecular structure lightbox
CAS RN: 1026088-11-8

(1S)-1-(4-Bromo-2-fluorophenyl)ethan-1-ol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1026088-11-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1026088-11-8 / (1S)-1-(4-bromo-2-fluorophenyl)ethanol

1-(4-bromo-2-fluorophenyl)ethanol | 1-(4-bromo-2-fluorophenyl)ethan-1-ol | MFCD19601833

Standard CAS: 1026088-11-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1026088-11-8
Multi CAS
Yes
Molecular Formula
C8H8BrFO
Molecular Weight
219.050000
Exact Mass
217.974260
SMILES
C[C@@H](C1=C(C=C(C=C1)Br)F)O
InChI
InChI=1S/C8H8BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3/t5-/m0/s1
InChIKey
MASZUNQDCHMJEP-YFKPBYRVSA-N
Synonyms
1-(4-bromo-2-fluorophenyl)ethanol 1-(4-bromo-2-fluorophenyl)ethan-1-ol MFCD19601833 SCHEMBL10719 MASZUNQDCHMJEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.73
TPSA
20.23

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.2
Consensus LogP
2.39
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us