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CAS 1002345-50-7 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) molecular structure lightbox
CAS RN: 1002345-50-7

1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100g In stock Shanghai Inquiry
Batchno.20260423 10g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250124 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260119 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251014 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260226 500g In stock Shanghai Inquiry
Batchno.20250414 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-000662
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1002345-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
25g ≥97% 1 In Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

1002345-50-7 / dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium ditetrafluoroborate

1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) | RefChem:414027 | 635-571-0

Standard CAS: 1002345-50-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1002345-50-7
Multi CAS
Yes
Molecular Formula
C27H52B2F8P2
Molecular Weight
612.300000
Exact Mass
612.360261
SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C27H50P2.2BF4/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*2-1(3,4)5/h24-27H,1-23H2;;/q;2*-1/p+2
InChIKey
XJZAIJGNZUQTAM-UHFFFAOYSA-P
Synonyms
1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) RefChem:414027 635-571-0 Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate MFCD12545948

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
158.84
TPSA
0.0000

LogP / Solubility

WLOGP
11.74
MLOGP
10.38
XLogP3
11.74
Consensus LogP
11.29
Log S (ESOL)
-10.5
Class (ESOL)
Insoluble
Log S (Ali)
-13.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.88

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
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (91.1%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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