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CAS 1309446-14-7 (11bS)-4-hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure lightbox
CAS RN: 1309446-14-7

(11bS)-4-hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251114 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250423 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251010 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-037487
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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 1309446-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1309446-14-7 / 13-hydroxy-10,16-bis(2,4,6-tricyclohexylphenyl)-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: 1309446-14-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1309446-14-7
Multi CAS
No
Molecular Formula
C68H81O4P
Molecular Weight
993.300000
Exact Mass
992.587248
SMILES
C1CCC(CC1)C2=CC(=C(C(=C2)C3CCCCC3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C(C=C(C=C9C1CCCCC1)C1CCCCC1)C1CCCCC1)O)C1CCCCC1
InChI
InChI=1S/C68H81O4P/c69-73(70)71-67-61(63-57(47-27-11-3-12-28-47)41-53(45-23-7-1-8-24-45)42-58(63)48-29-13-4-14-30-48)39-51-35-19-21-37-55(51)65(67)66-56-38-22-20-36-52(56)40-62(68(66)72-73)64-59(49-31-15-5-16-32-49)43-54(46-25-9-2-10-26-46)44-60(64)50-33-17-6-18-34-50/h19-22,35-50H,1-18,23-34H2,(H,69,70)
InChIKey
XDXHWHCIFIGZGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
73
Aromatic heavy atom count
32
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
303.8
TPSA
55.76

LogP / Solubility

WLOGP
21.15
MLOGP
18.71
XLogP3
23.3
Consensus LogP
21.05
Log S (ESOL)
-19.12
Class (ESOL)
Insoluble
Log S (Ali)
-22.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.63
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)
6.24

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
9

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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