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CAS 874948-63-7 (S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl Hydrogen Phosphate molecular structure lightbox
CAS RN: 874948-63-7

(S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl Hydrogen Phosphate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260621 10g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250709 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250423 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260515 5g In stock Chengdu Inquiry
  • Product code: SSC-197548
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 0.1g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 874948-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
5g >98% 2 In Stock Shanghai Inquiry
10g >98% 2 In Stock Hong Kong Inquiry
0.1g >98% 0 Out of Stock Shanghai Inquiry

874948-63-7 / 13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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: 874948-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874948-63-7
Multi CAS
No
Molecular Formula
C50H57O4P
Molecular Weight
753.000000
Exact Mass
752.399447
InChI
InChI=1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)
InChIKey
AGQAQYPGJDBIQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
32
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
233.38
TPSA
55.76

LogP / Solubility

WLOGP
15.61
MLOGP
13.8
XLogP3
14.8
Consensus LogP
14.74
Log S (ESOL)
-14.24
Class (ESOL)
Insoluble
Log S (Ali)
-17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.47
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)
3.77

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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