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CAS 34060-72-5 2-methyl-5-chlorobenzyl chloride molecular structure lightbox
CAS RN: 34060-72-5

2-methyl-5-chlorobenzyl chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34060-72-5
  • Purity/Analytical Methods: >99.0%
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34060-72-5 / 4-chloro-2-(chloromethyl)-1-methylbenzene

Standard CAS: 34060-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34060-72-5
Multi CAS
No
Molecular Formula
C8H8CL2
Molecular Weight
175.050000
Exact Mass
174.000306
InChI
InChI=1S/C8H8Cl2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3
InChIKey
JMGAFTBKTDKOHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
45.75
TPSA
0.0000

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.8
Consensus LogP
3.39
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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