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CAS 62992-61-4 etersalate molecular structure lightbox
CAS RN: 62992-61-4

etersalate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS62992-61-4
  • Purity/Analytical Methods: >99.0%
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62992-61-4 / 2-(4-acetamidophenoxy)ethyl 2-acetyloxybenzoate

Standard CAS: 62992-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62992-61-4
Multi CAS
No
Molecular Formula
C19H19NO6
Molecular Weight
357.400000
Exact Mass
357.121237
InChI
InChI=1S/C19H19NO6/c1-13(21)20-15-7-9-16(10-8-15)24-11-12-25-19(23)17-5-3-4-6-18(17)26-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKey
PXBFSRVXEKCBFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.27
TPSA
90.93

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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