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CAS 352530-45-1 (S)-1-CHLORO-3-(4-FLUOROPHENOXY)-2-PROPANO L molecular structure lightbox
CAS RN: 352530-45-1

(S)-1-CHLORO-3-(4-FLUOROPHENOXY)-2-PROPANO L

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352530-45-1
  • Purity/Analytical Methods: >99.0%
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352530-45-1 / 1-chloro-3-(4-fluorophenoxy)propan-2-ol

Standard CAS: 352530-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352530-45-1
Multi CAS
Yes
Molecular Formula
C9H10CLFO2
Molecular Weight
204.620000
Exact Mass
204.035335
InChI
InChI=1S/C9H10ClFO2/c10-5-8(12)6-13-9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2/t8-/m1/s1
InChIKey
OSIKOYZBGUHWAB-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.62
TPSA
29.46

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.69

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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