CAS RN: 1344913-01-4
(1R)-1-(3-chloro-4-fluorophenyl)ethan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1344913-01-4
- Purity/Analytical Methods: >99.0%
1344913-01-4 / (1R)-1-(3-chloro-4-fluorophenyl)ethanol
Basic Information
CAS
1344913-01-4
Multi CAS
No
Molecular Formula
C8H8ClFO
Molecular Weight
174.600000
Exact Mass
174.024771
SMILES
C[C@H](C1=CC(=C(C=C1)F)Cl)O
InChI
InChI=1S/C8H8ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m1/s1
InChIKey
RGGSPHGSOUBBIC-RXMQYKEDSA-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
42.04
TPSA
20.23
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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