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CAS 63134-26-9 2-[2-[2-(4-Nitrophenoxy)ethoxy]ethoxy]ethanol molecular structure lightbox
CAS RN: 63134-26-9

2-[2-[2-(4-Nitrophenoxy)ethoxy]ethoxy]ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS63134-26-9
  • Purity/Analytical Methods: >99.0%
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63134-26-9 / 2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethanol

Standard CAS: 63134-26-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63134-26-9
Multi CAS
Yes
Molecular Formula
C12H17NO6
Molecular Weight
271.270000
Exact Mass
271.105587
InChI
InChI=1S/C12H17NO6/c14-5-6-17-7-8-18-9-10-19-12-3-1-11(2-4-12)13(15)16/h1-4,14H,5-10H2
InChIKey
HHMZBDBWIQZVMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.32
TPSA
91.06

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-3.67

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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