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CAS 699006-55-8 R- 4-oxide–hydroxy-2,6-bis[4-(2-naphthalenyl)phenyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure lightbox
CAS RN: 699006-55-8

R- 4-oxide–hydroxy-2,6-bis[4-(2-naphthalenyl)phenyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100mg Out of stock Inquiry
Batchno.20250109 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250708 250mg Out of stock Inquiry
  • Product code: SSC-179689
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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: ≥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 699006-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

699006-55-8 / 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Standard CAS: 699006-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
699006-55-8
Multi CAS
No
Molecular Formula
C52H33O4P
Molecular Weight
752.800000
Exact Mass
752.211647
InChI
InChI=1S/C52H33O4P/c53-57(54)55-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)56-57)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32H,(H,53,54)
InChIKey
FRXFYAVXIXQHHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
52
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
234.73
TPSA
55.76

LogP / Solubility

WLOGP
14.51
MLOGP
12.83
XLogP3
13.8
Consensus LogP
13.71
Log S (ESOL)
-14.06
Class (ESOL)
Insoluble
Log S (Ali)
-16.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.07
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)
2.99

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
8

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