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CAS 53815-60-4 2-(2-METHOXYPHENOXY)ETHYL CHLORIDE molecular structure lightbox
CAS RN: 53815-60-4

2-(2-METHOXYPHENOXY)ETHYL CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53815-60-4
  • Purity/Analytical Methods: >99.0%
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53815-60-4 / 1-(2-chloroethoxy)-2-methoxybenzene

Standard CAS: 53815-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53815-60-4
Multi CAS
No
Molecular Formula
C9H11CLO2
Molecular Weight
186.630000
Exact Mass
186.044757
InChI
InChI=1S/C9H11ClO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKey
CJHKWIFDLHQWCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
49.21
TPSA
18.46

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.22

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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