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CAS 1043567-32-3 (11bS)-2,6-Di-9-phenanthrenyl-4-hydroxy-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-oxide molecular structure lightbox
CAS RN: 1043567-32-3

(11bS)-2,6-Di-9-phenanthrenyl-4-hydroxy-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-oxide

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260508 100mg In stock Shanghai Inquiry
Batchno.20260223 1g In stock Shanghai Inquiry
Batchno.20250728 250mg In stock Shanghai Inquiry
Batchno.20250816 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-006129
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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 1043567-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1043567-32-3 / 13-hydroxy-10,16-di(phenanthren-9-yl)-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

DTXSID70470690 | 4-Hydroxy-2,6-di(phenanthren-9-yl)-4H-4lambda~5~-dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-one | 4-Hydroxy-2,6-di(phenanthren-9-yl)-4H-4lambda~5~-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one

Standard CAS: 1043567-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1043567-32-3
Multi CAS
Yes
Molecular Formula
C48H29O4P
Molecular Weight
700.700000
Exact Mass
700.180346
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=CC1=CC=CC=C1C1=CC=CC=C19)O
InChI
InChI=1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50)
InChIKey
BVICVEIKBNVROI-UHFFFAOYSA-N
Synonyms
DTXSID70470690 4-Hydroxy-2,6-di(phenanthren-9-yl)-4H-4lambda~5~-dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-one 4-Hydroxy-2,6-di(phenanthren-9-yl)-4H-4lambda~5~-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one RefChem:1070744 DTXCID30421507

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
48
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
218.87
TPSA
55.76

LogP / Solubility

WLOGP
13.48
MLOGP
11.92
XLogP3
13.1
Consensus LogP
12.83
Log S (ESOL)
-13.21
Class (ESOL)
Insoluble
Log S (Ali)
-15.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.64
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)
2.58

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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