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CAS 126710-08-5 2-[2-(3-Prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]ethyl methacrylate contains <=500 ppm phenothiazine as inhibitor molecular structure lightbox
CAS RN: 126710-08-5

2-[2-(3-Prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]ethyl methacrylate contains <=500 ppm phenothiazine as inhibitor

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS126710-08-5
  • Purity/Analytical Methods: >99.0%
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126710-08-5 / 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate

Standard CAS: 126710-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126710-08-5
Multi CAS
No
Molecular Formula
C19H25NO4
Molecular Weight
331.400000
Exact Mass
331.178358
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)OCCOC(=O)C(=C)C
InChI
InChI=1S/C19H25NO4/c1-13(2)15-8-7-9-16(12-15)19(5,6)20-18(22)24-11-10-23-17(21)14(3)4/h7-9,12H,1,3,10-11H2,2,4-6H3,(H,20,22)
InChIKey
XZWLUVUMBIRBOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.43
TPSA
64.63

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
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
No
Synthetic Accessibility
2.5

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