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CAS 189264-25-3 2,8-Diethyl-1,3,5,7-tetramethyl-9-phenylbipyrromethene difluoroborate 99% (HPLC) molecular structure lightbox
CAS RN: 189264-25-3

2,8-Diethyl-1,3,5,7-tetramethyl-9-phenylbipyrromethene difluoroborate 99% (HPLC)

Product Availability

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250212 100mg In stock Inquiry
Batchno.20250227 1g In stock Inquiry
Batchno.20250921 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 100mg Out of stock Inquiry
Batchno.20260605 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260529 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260527 250mg In stock Tianjin Inquiry
Batchno.20250625 5g Out of stock Inquiry
  • Product code: SSC-088367
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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 189264-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

189264-25-3 / 5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraene

Standard CAS: 189264-25-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189264-25-3
Multi CAS
No
Molecular Formula
C23H29BF2N2
Molecular Weight
382.300000
Exact Mass
382.239185
SMILES
[B-]1([NH+]2C(C(=C(C2=C(C3=C(C(=C(N31)C)CC)C)C4=CC=CC=C4)C)CC)C)(F)F
InChI
InChI=1S/C23H29BF2N2/c1-7-19-14(3)22-21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)28(23)24(25,26)27(22)16(19)5/h9-13,16,27H,7-8H2,1-6H3
InChIKey
CRARGSGFIGBCBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
112.53
TPSA
9.37

LogP / Solubility

WLOGP
4.68
MLOGP
4.14
XLogP3
4.68
Consensus LogP
4.5
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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