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CAS 171277-87-5 N-(2,6-DIFLUOROPHENYL)-1-HYDRAZINECARBOXAMIDE molecular structure lightbox
CAS RN: 171277-87-5

N-(2,6-DIFLUOROPHENYL)-1-HYDRAZINECARBOXAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS171277-87-5
  • Purity/Analytical Methods: >99.0%
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171277-87-5 / 1-amino-3-(2,6-difluorophenyl)urea

Standard CAS: 171277-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
171277-87-5
Multi CAS
No
Molecular Formula
C7H7F2N3O
Molecular Weight
187.150000
Exact Mass
187.055718
SMILES
C1=CC(=C(C(=C1)F)NC(=O)NN)F
InChI
InChI=1S/C7H7F2N3O/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey
ZLGBXPZEBAXBAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
42.7
TPSA
67.15

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
-0.2
Consensus LogP
0.53
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.18

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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