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CAS 138471-93-9 Ethanol, 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]- molecular structure lightbox
CAS RN: 138471-93-9

Ethanol, 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS138471-93-9
  • Purity/Analytical Methods: >99.0%
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138471-93-9 / 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethanol

Standard CAS: 138471-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138471-93-9
Multi CAS
No
Molecular Formula
C14H22O4
Molecular Weight
254.320000
Exact Mass
254.151809
SMILES
CC1=CC=C(C=C1)COCCOCCOCCO
InChI
InChI=1S/C14H22O4/c1-13-2-4-14(5-3-13)12-18-11-10-17-9-8-16-7-6-15/h2-5,15H,6-12H2,1H3
InChIKey
JBNRTMLHFABIJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.56
TPSA
47.92

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.79
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)
-3.18

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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