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CAS 45101-66-4 6-Chlorohexyl methacrylate molecular structure lightbox
CAS RN: 45101-66-4

6-Chlorohexyl methacrylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS45101-66-4
  • Purity/Analytical Methods: >99.0%
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45101-66-4 / 6-chlorohexyl 2-methylprop-2-enoate

Standard CAS: 45101-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
45101-66-4
Multi CAS
No
Molecular Formula
C10H17CLO2
Molecular Weight
204.690000
Exact Mass
204.091708
InChI
InChI=1S/C10H17ClO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h1,3-8H2,2H3
InChIKey
VYJSFGVWWBBFBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
54.96
TPSA
26.3

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.6
Consensus LogP
3.02
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-1.91

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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