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CAS 1403850-00-9 3DPA2FBN molecular structure lightbox
CAS RN: 1403850-00-9

3DPA2FBN

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260322 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250507 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250316 10g In stock Shanghai Inquiry
Batchno.20251030 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250910 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260529 25g In stock Shanghai Inquiry
Batchno.20250923 50mg In stock Shanghai Inquiry
Batchno.20260608 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260314 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-050986
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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 1403850-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1403850-00-9 / 3,5-difluoro-2,4,6-tris(N-phenylanilino)benzonitrile

Standard CAS: 1403850-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403850-00-9
Multi CAS
No
Molecular Formula
C43H30F2N4
Molecular Weight
640.700000
Exact Mass
640.243853
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C(=C(C(=C3F)N(C4=CC=CC=C4)C5=CC=CC=C5)F)N(C6=CC=CC=C6)C7=CC=CC=C7)C#N
InChI
InChI=1S/C43H30F2N4/c44-39-41(47(32-19-7-1-8-20-32)33-21-9-2-10-22-33)38(31-46)42(48(34-23-11-3-12-24-34)35-25-13-4-14-26-35)40(45)43(39)49(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKey
VPCXVCNTHAMRBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
42
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
195.12
TPSA
33.51

LogP / Solubility

WLOGP
12.25
MLOGP
10.83
XLogP3
11.6
Consensus LogP
11.56
Log S (ESOL)
-11.57
Class (ESOL)
Insoluble
Log S (Ali)
-13.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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