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CAS 70788-28-2 N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE molecular structure lightbox
CAS RN: 70788-28-2

N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 10mg In stock Shanghai Inquiry
Batchno.20260329 25mg In stock Shanghai Inquiry
Batchno.20260619 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS70788-28-2
  • Purity/Analytical Methods: >99.0%
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70788-28-2 / N-diaminophosphoryl-4-fluorobenzamide

Standard CAS: 70788-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70788-28-2
Multi CAS
No
Molecular Formula
C7FH9N3O2P
Molecular Weight
217.140000
Exact Mass
217.041642
InChI
InChI=1S/C7H9FN3O2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H5,9,10,11,12,13)
InChIKey
QWZFVMCWPLMLTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
49.85
TPSA
98.21

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
-0.6
Consensus LogP
0.16
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.63

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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