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CAS 1677-29-8 N,N”-BIS-(4-FLUORO-PHENYL)-MALONAMIDE molecular structure lightbox
CAS RN: 1677-29-8

N,N”-BIS-(4-FLUORO-PHENYL)-MALONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073145
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1677-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1677-29-8 / N,N'-bis(4-fluorophenyl)propanediamide

Standard CAS: 1677-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1677-29-8
Multi CAS
No
Molecular Formula
C15H12F2N2O2
Molecular Weight
290.260000
Exact Mass
290.086684
SMILES
C1=CC(=CC=C1NC(=O)CC(=O)NC2=CC=C(C=C2)F)F
InChI
InChI=1S/C15H12F2N2O2/c16-10-1-5-12(6-2-10)18-14(20)9-15(21)19-13-7-3-11(17)4-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey
IHPIXCWMIRALHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.68
TPSA
58.2

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3.4
Consensus LogP
2.97
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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