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CAS 1193170-24-9 2-propenoic acid,2-[2-(phenylmethyl)phenoxy]ethylester molecular structure lightbox
CAS RN: 1193170-24-9

2-propenoic acid,2-[2-(phenylmethyl)phenoxy]ethylester

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINP886579
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1193170-24-9 / 2-(2-benzylphenoxy)ethyl prop-2-enoate

2-(2-Benzylphenoxy)ethyl acrylate | 2-benzylphenoxyethyl acrylate | SCHEMBL4331980

Standard CAS: 1193170-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1193170-24-9
Multi CAS
No
Molecular Formula
C18H18O3
Molecular Weight
282.300000
Exact Mass
282.125594
SMILES
C=CC(=O)OCCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C18H18O3/c1-2-18(19)21-13-12-20-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h2-11H,1,12-14H2
InChIKey
RGXBSYVDGXLTOL-UHFFFAOYSA-N
Synonyms
2-(2-Benzylphenoxy)ethyl acrylate 2-benzylphenoxyethyl acrylate SCHEMBL4331980 2-propenoic acid,2-[2-(phenylmethyl)phenoxy]ethylester 2-(2-Benzylphenoxy)ethylacrylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
82.34
TPSA
35.53

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
4.3
Consensus LogP
3.56
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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