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CAS 1007311-98-9 (9-Butyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate, cataCXium(R) FBu molecular structure lightbox
CAS RN: 1007311-98-9

(9-Butyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate, cataCXium(R) FBu

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251219 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-001424
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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
  • 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 1007311-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1007311-98-9 / (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate

Dicyclohexyl(9-butylfluoren-9-yl)phosphonium tetrafluoroborate | RefChem:586876 | 693-328-4

Standard CAS: 1007311-98-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1007311-98-9
Multi CAS
Yes
Molecular Formula
C29H40BF4P
Molecular Weight
506.400000
Exact Mass
506.289681
SMILES
[B-](F)(F)(F)F.CCCCC1(C2=CC=CC=C2C3=CC=CC=C31)[PH+](C4CCCCC4)C5CCCCC5
InChI
InChI=1S/C29H39P.BF4/c1-2-3-22-29(27-20-12-10-18-25(27)26-19-11-13-21-28(26)29)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2-1(3,4)5/h10-13,18-21,23-24H,2-9,14-17,22H2,1H3;/q;-1/p+1
InChIKey
CBQHWERYDVYPPB-UHFFFAOYSA-O
Synonyms
Dicyclohexyl(9-butylfluoren-9-yl)phosphonium tetrafluoroborate RefChem:586876 693-328-4 (9-Butyl-9-fluorenyl)dicyclohexylphosphonium tetrafluoroborate MFCD10566979

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
144.43
TPSA
0.0000

LogP / Solubility

WLOGP
10.28
MLOGP
9.08
XLogP3
10.28
Consensus LogP
9.88
Log S (ESOL)
-9.31
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.2
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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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