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CAS 887351-37-3 N-Cyclopropyl-4-fluoro-2-nitroaniline molecular structure lightbox
CAS RN: 887351-37-3

N-Cyclopropyl-4-fluoro-2-nitroaniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS887351-37-3
  • Purity/Analytical Methods: >99.0%
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887351-37-3 / N-cyclopropyl-4-fluoro-2-nitroaniline

Standard CAS: 887351-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887351-37-3
Multi CAS
No
Molecular Formula
C9FH9N2O2
Molecular Weight
196.180000
Exact Mass
196.064806
InChI
InChI=1S/C9H9FN2O2/c10-6-1-4-8(11-7-2-3-7)9(5-6)12(13)14/h1,4-5,7,11H,2-3H2
InChIKey
IFVGZPQVABAJNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.7
TPSA
55.17

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
3
Consensus LogP
2.45
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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