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CAS 39263-34-8 N’-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE molecular structure lightbox
CAS RN: 39263-34-8

N’-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39263-34-8
  • Purity/Analytical Methods: >99.0%
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39263-34-8 / N'-(2-cyano-4-nitrophenyl)-N,N-dimethylmethanimidamide

Standard CAS: 39263-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39263-34-8
Multi CAS
No
Molecular Formula
C10H10N4O2
Molecular Weight
218.210000
Exact Mass
218.080376
InChI
InChI=1S/C10H10N4O2/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11/h3-5,7H,1-2H3
InChIKey
RLSZPRPVHOOMBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.65
TPSA
82.53

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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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