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CAS 180156-50-7 9,9-difluoro-4-phenyl-1,9-dihydrodipyrrolo[2,3-c:2′,1′-f][1,2]azaborinin-8-ium-9-uide molecular structure lightbox
CAS RN: 180156-50-7

9,9-difluoro-4-phenyl-1,9-dihydrodipyrrolo[2,3-c:2′,1′-f][1,2]azaborinin-8-ium-9-uide

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 100mg / 250mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 1g Out of stock 8-10 business days Inquiry
Batchno.20250404 250mg In stock Shanghai Inquiry
  • Product code: SSC-080528
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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: 0.25g, 1g
  • Available purity: ≥97%
  • 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 180156-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

180156-50-7 / 2,2-difluoro-8-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

Standard CAS: 180156-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180156-50-7
Multi CAS
No
Molecular Formula
C15H11BF2N2
Molecular Weight
268.070000
Exact Mass
268.098335
SMILES
[B-]1(N2C=CC=C2C(=C3[N+]1=CC=C3)C4=CC=CC=C4)(F)F
InChI
InChI=1S/C15H11BF2N2/c17-16(18)19-10-4-8-13(19)15(12-6-2-1-3-7-12)14-9-5-11-20(14)16/h1-11H
InChIKey
RGROAAJNQHGYEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
75.73
TPSA
7.94

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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

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