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CAS 149646-83-3 6,6′-[[(1R,3R)-1,3-DIMETHYL-1,3-PROPANEDIYL]BIS(OXY)]BIS[4,8-BIS(T-BUTYL)-2,10-DIMETHOXY-BIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN molecular structure lightbox
CAS RN: 149646-83-3

6,6′-[[(1R,3R)-1,3-DIMETHYL-1,3-PROPANEDIYL]BIS(OXY)]BIS[4,8-BIS(T-BUTYL)-2,10-DIMETHOXY-BIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260525 100mg In stock Inquiry
Batchno.20250325 250mg In stock Inquiry
Batchno.20260226 500mg In stock Inquiry
Batchno.20250807 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250419 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260510 1g In stock Shanghai Inquiry
Batchno.20260402 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250325 50mg In stock Shanghai Inquiry
Batchno.20260317 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260526 5g Out of stock Inquiry
  • Product code: SSC-059604
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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: 0.1g, 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 149646-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

149646-83-3 / 4,8-ditert-butyl-6-[(2R,4R)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

Standard CAS: 149646-83-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149646-83-3
Multi CAS
No
Molecular Formula
C49H66O10P2
Molecular Weight
877.000000
Exact Mass
876.413122
SMILES
C[C@H](C[C@@H](C)OP1OC2=C(C=C(C=C2C(C)(C)C)OC)C3=C(O1)C(=CC(=C3)OC)C(C)(C)C)OP4OC5=C(C=C(C=C5C(C)(C)C)OC)C6=C(O4)C(=CC(=C6)OC)C(C)(C)C
InChI
InChI=1S/C49H66O10P2/c1-28(54-60-56-42-34(20-30(50-15)24-38(42)46(3,4)5)35-21-31(51-16)25-39(43(35)57-60)47(6,7)8)19-29(2)55-61-58-44-36(22-32(52-17)26-40(44)48(9,10)11)37-23-33(53-18)27-41(45(37)59-61)49(12,13)14/h20-29H,19H2,1-18H3/t28-,29-/m1/s1
InChIKey
XMUZNZWRMNWOHX-FQLXRVMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
30
Fraction Csp3
0.51
Rotatable bonds
10
H-bond acceptors
10
Molar refractivity
250.35
TPSA
107.94

LogP / Solubility

WLOGP
14.84
MLOGP
13.14
XLogP3
14.4
Consensus LogP
14.13
Log S (ESOL)
-14.33
Class (ESOL)
Insoluble
Log S (Ali)
-17.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.47

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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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