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CAS 24583-70-8 3-(4-chlorophenyl)prop-2-en-1-ol molecular structure lightbox
CAS RN: 24583-70-8

3-(4-chlorophenyl)prop-2-en-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24583-70-8
  • Purity/Analytical Methods: >99.0%
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24583-70-8 / 3-(4-chlorophenyl)prop-2-en-1-ol

Standard CAS: 24583-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24583-70-8
Multi CAS
No
Molecular Formula
C9H9ClO
Molecular Weight
168.620000
Exact Mass
168.034193
SMILES
C1=CC(=CC=C1C=CCO)Cl
InChI
InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
InChIKey
HFMHVOCTLZMPRY-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.57
TPSA
20.23

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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