[email protected]
CAS 121627-17-6 6,6′-[(3,3′-Di-t-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepin)hemiethylacetateadduct molecular structure lightbox
CAS RN: 121627-17-6

6,6′-[(3,3′-Di-t-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepin)hemiethylacetateadduct

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260611 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250502 250mg In stock Shanghai Inquiry
Batchno.20250912 25g In stock Shanghai Inquiry
Batchno.20250314 5g In stock Shanghai Inquiry
  • Product code: SSC-024258
GET A QUOTE
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
Request Bulk Quote

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 121627-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

121627-17-6 / 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine

Standard CAS: 121627-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121627-17-6
Multi CAS
No
Molecular Formula
C46H44O8P2
Molecular Weight
786.800000
Exact Mass
786.251142
SMILES
CC(C)(C)C1=CC(=CC(=C1OP2OC3=CC=CC=C3C4=CC=CC=C4O2)C5=C(C(=CC(=C5)OC)C(C)(C)C)OP6OC7=CC=CC=C7C8=CC=CC=C8O6)OC
InChI
InChI=1S/C46H44O8P2/c1-45(2,3)37-27-29(47-7)25-35(43(37)53-55-49-39-21-13-9-17-31(39)32-18-10-14-22-40(32)50-55)36-26-30(48-8)28-38(46(4,5)6)44(36)54-56-51-41-23-15-11-19-33(41)34-20-12-16-24-42(34)52-56/h9-28H,1-8H3
InChIKey
WUFGFUAXCBPGOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
42
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
227.08
TPSA
89.48

LogP / Solubility

WLOGP
14.86
MLOGP
13.14
XLogP3
13.4
Consensus LogP
13.8
Log S (ESOL)
-14.17
Class (ESOL)
Insoluble
Log S (Ali)
-16.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.95
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)
3.03

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us