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CAS 2010983-27-2 6,10-Dibenzyl-N,N’-dimethyl-N,N,N’,N’-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2R,3R)-diylbis(methylammonium) Bis(tetrafluoroborate) [=(R,R)-TaDiAS-2nd] molecular structure lightbox
CAS RN: 2010983-27-2

6,10-Dibenzyl-N,N’-dimethyl-N,N,N’,N’-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2R,3R)-diylbis(methylammonium) Bis(tetrafluoroborate) [=(R,R)-TaDiAS-2nd]

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100mg In stock Inquiry
Batchno.20250101 1g Out of stock Inquiry
Batchno.20251107 200mg Out of stock Inquiry
Batchno.20251129 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 200mg In stock Shanghai Inquiry
  • Product code: SSC-094882
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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 2010983-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2010983-27-2 / [(2R,3R)-6,10-dibenzyl-3-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,4-dioxaspiro[4.5]decan-2-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium ditetrafluoroborate

Standard CAS: 2010983-27-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2010983-27-2
Multi CAS
No
Molecular Formula
C58H70B2F8N2O2
Molecular Weight
1000.800000
Exact Mass
1000.549565
SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=CC=C(C=C1)C[N+](C)(C[C@@H]2[C@H](OC3(O2)C(CCCC3CC4=CC=CC=C4)CC5=CC=CC=C5)C[N+](C)(CC6=CC=C(C=C6)C)CC7=CC=C(C=C7)C)CC8=CC=C(C=C8)C
InChI
InChI=1S/C58H70N2O2.2BF4/c1-44-20-28-50(29-21-44)38-59(5,39-51-30-22-45(2)23-31-51)42-56-57(43-60(6,40-52-32-24-46(3)25-33-52)41-53-34-26-47(4)27-35-53)62-58(61-56)54(36-48-14-9-7-10-15-48)18-13-19-55(58)37-49-16-11-8-12-17-49;2*2-1(3,4)5/h7-12,14-17,20-35,54-57H,13,18-19,36-43H2,1-6H3;;/q+2;2*-1/t54?,55?,56-,57-;;/m1../s1
InChIKey
RNRYUCPTAVMDSK-KBNRWHODSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
36
Fraction Csp3
0.38
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
275.61
TPSA
18.46

LogP / Solubility

WLOGP
14.9
MLOGP
13.2
XLogP3
14.9
Consensus LogP
14.33
Log S (ESOL)
-14.74
Class (ESOL)
Insoluble
Log S (Ali)
-18.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.45
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)
1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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