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CAS 171086-52-5 (4S-TRANS)-2 2-DIMETHYL-A A A’ A’-TETRA& molecular structure lightbox
CAS RN: 171086-52-5

(4S-TRANS)-2 2-DIMETHYL-A A A’ A’-TETRA&

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260518 100g Out of stock Inquiry
Batchno.20250108 1g In stock Shanghai Inquiry
Batchno.20260119 250mg In stock Shanghai Inquiry
Batchno.20251103 25g Out of stock Inquiry
Batchno.20251204 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-075374
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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: 5g
  • 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 171086-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

171086-52-5 / [(4S,5S)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-1-ylmethanol

Standard CAS: 171086-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
171086-52-5
Multi CAS
No
Molecular Formula
C47H38O4
Molecular Weight
666.800000
Exact Mass
666.277010
SMILES
CC1(O[C@@H]([C@H](O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C
InChI
InChI=1S/C47H38O4/c1-45(2)50-43(46(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(49,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-44,48-49H,1-2H3/t43-,44-/m0/s1
InChIKey
WTZVNZRNIOJACO-CXNSMIOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
40
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
205.61
TPSA
58.92

LogP / Solubility

WLOGP
9.99
MLOGP
8.85
XLogP3
10.2
Consensus LogP
9.68
Log S (ESOL)
-10.45
Class (ESOL)
Insoluble
Log S (Ali)
-12.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.01
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)
0.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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