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CAS 7295-50-3 1-(4-chlorophenyl)hexan-1-one molecular structure lightbox
CAS RN: 7295-50-3

1-(4-chlorophenyl)hexan-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS7295-50-3
  • Purity/Analytical Methods: >99.0%
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7295-50-3 / 1-(4-chlorophenyl)hexan-1-one

Standard CAS: 7295-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7295-50-3
Multi CAS
No
Molecular Formula
C12H15CLO
Molecular Weight
210.700000
Exact Mass
210.081143
InChI
InChI=1S/C12H15ClO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3
InChIKey
FUFUKDZTHYAFKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
59.92
TPSA
17.07

LogP / Solubility

WLOGP
4.1
MLOGP
3.61
XLogP3
4.1
Consensus LogP
3.94
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

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
1.5

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