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CAS 391277-53-5 Methyl 2-(5-Methoxy-2-Nitrophenyl)Acrylate molecular structure lightbox
CAS RN: 391277-53-5

Methyl 2-(5-Methoxy-2-Nitrophenyl)Acrylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS391277-53-5
  • Purity/Analytical Methods: >99.0%
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391277-53-5 / methyl 2-(5-methoxy-2-nitrophenyl)prop-2-enoate

Standard CAS: 391277-53-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
391277-53-5
Multi CAS
No
Molecular Formula
C11H11NO5
Molecular Weight
237.210000
Exact Mass
237.063722
InChI
InChI=1S/C11H11NO5/c1-7(11(13)17-3)9-6-8(16-2)4-5-10(9)12(14)15/h4-6H,1H2,2-3H3
InChIKey
DOOYWMWOHYSSBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
60.7
TPSA
78.67

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-2.9

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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