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CAS 1011465-29-4 R-4-oxide-2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy–Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure lightbox
CAS RN: 1011465-29-4

R-4-oxide-2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy–Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260301 1g In stock Shanghai Inquiry
Batchno.20250411 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250911 5g Out of stock Inquiry
  • Product code: SSC-001999
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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: 0.25g
  • 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 1011465-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1011465-29-4 / 10,16-di(anthracen-9-yl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide

(11bR)-2,6-Di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin | (S)-3,3'-Bis(9-anthracenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthyl Hydrogen Phosphate | Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-, 4-oxide, (11bR)-

Standard CAS: 1011465-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1011465-29-4
Multi CAS
No
Molecular Formula
C48H37O4P
Molecular Weight
708.800000
Exact Mass
708.242947
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=C7C=CC=CC7=CC8=CC=CC=C86)O)C9=C1C=CC=CC1=CC1=CC=CC=C19
InChI
InChI=1S/C48H37O4P/c49-53(50)51-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)52-53)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-4,7-10,13-16,19-22,25-28H,5-6,11-12,17-18,23-24H2,(H,49,50)
InChIKey
XURRFWYPCJSOLQ-UHFFFAOYSA-N
Synonyms
(11bR)-2,6-Di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin (S)-3,3'-Bis(9-anthracenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthyl Hydrogen Phosphate Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-, 4-oxide, (11bR)- MFCD30489118 (R)-3,3'-Bis(9-anthracenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthyl HydrogenPhosphate

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
40
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
217.14
TPSA
55.76

LogP / Solubility

WLOGP
12.93
MLOGP
11.44
XLogP3
13.3
Consensus LogP
12.56
Log S (ESOL)
-12.81
Class (ESOL)
Insoluble
Log S (Ali)
-14.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.24
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)
2.14

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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