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CAS 1217901-32-0 S-3,3′-Bis(4-(1,1-diMethylethyl)phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate molecular structure lightbox
CAS RN: 1217901-32-0

S-3,3′-Bis(4-(1,1-diMethylethyl)phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250515 1g In stock Shenzhen Inquiry
Batchno.20260405 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-024568
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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 1217901-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1217901-32-0 / 10,16-bis(4-tert-butylphenyl)-13-hydroxy-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: 1217901-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217901-32-0
Multi CAS
No
Molecular Formula
C40H37O4P
Molecular Weight
612.700000
Exact Mass
612.242947
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=CC=C(C=C7)C(C)(C)C)O
InChI
InChI=1S/C40H37O4P/c1-39(2,3)29-19-15-25(16-20-29)33-23-27-11-7-9-13-31(27)35-36-32-14-10-8-12-28(32)24-34(38(36)44-45(41,42)43-37(33)35)26-17-21-30(22-18-26)40(4,5)6/h7-24H,1-6H3,(H,41,42)
InChIKey
NLMLOSHPJMFGTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
32
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
186.24
TPSA
55.76

LogP / Solubility

WLOGP
11.46
MLOGP
10.13
XLogP3
11.4
Consensus LogP
11
Log S (ESOL)
-11.25
Class (ESOL)
Insoluble
Log S (Ali)
-12.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.39
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)
1.68

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
6

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