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CAS 1297613-77-4 (11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis([1,1′-biphenyl]-4-yl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure lightbox
CAS RN: 1297613-77-4

(11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis([1,1′-biphenyl]-4-yl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100mg In stock Shanghai Inquiry
Batchno.20250411 1g Out of stock Inquiry
Batchno.20250913 250mg In stock Shanghai Inquiry
Batchno.20251028 50mg In stock Shanghai Inquiry
Batchno.20260505 5g Out of stock Inquiry
  • Product code: SSC-036620
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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: ≥95%
  • 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 1297613-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1297613-77-4 / 12-hydroxy-1,10-bis(4-phenylphenyl)-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide

Standard CAS: 1297613-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1297613-77-4
Multi CAS
No
Molecular Formula
C41H31O4P
Molecular Weight
618.700000
Exact Mass
618.195996
SMILES
C1CC23CCC4=C2C(=C(C=C4)C5=CC=C(C=C5)C6=CC=CC=C6)OP(=O)(OC7=C(C=CC1=C37)C8=CC=C(C=C8)C9=CC=CC=C9)O
InChI
InChI=1S/C41H31O4P/c42-46(43)44-39-35(31-15-11-29(12-16-31)27-7-3-1-4-8-27)21-19-33-23-25-41(37(33)39)26-24-34-20-22-36(40(45-46)38(34)41)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-22H,23-26H2,(H,42,43)
InChIKey
GKIAGFOQUKNWCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
183.13
TPSA
55.76

LogP / Solubility

WLOGP
10.4
MLOGP
9.21
XLogP3
10.1
Consensus LogP
9.9
Log S (ESOL)
-10.55
Class (ESOL)
Insoluble
Log S (Ali)
-12.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.8
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)
0.89

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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