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CAS 27692-35-9 4-(chloroethoxy)aniline molecular structure lightbox
CAS RN: 27692-35-9

4-(chloroethoxy)aniline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27692-35-9
  • Purity/Analytical Methods: >99.0%
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27692-35-9 / 4-(2-chloroethoxy)aniline

Standard CAS: 27692-35-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27692-35-9
Multi CAS
Yes
Molecular Formula
C8H10ClNO
Molecular Weight
171.620000
Exact Mass
171.045092
InChI
InChI=1S/C8H10ClNO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6,10H2
InChIKey
JQRJWBDPSJFJPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.07
TPSA
35.25

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.5
Consensus LogP
1.68
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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