[email protected]
CAS 2834-10-8 2-Methoxybenzylidenemalononitrile molecular structure lightbox
CAS RN: 2834-10-8

2-Methoxybenzylidenemalononitrile

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2834-10-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2834-10-8 / 2-[(2-methoxyphenyl)methylidene]propanedinitrile

Standard CAS: 2834-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2834-10-8
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
InChI
InChI=1S/C11H8N2O/c1-14-11-5-3-2-4-10(11)6-9(7-12)8-13/h2-6H,1H3
InChIKey
YCZZNGRKFVBLDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.2
TPSA
56.81

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us