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CAS 117745-41-2 (S)-6,6-Dibromo-2,2-dimethoxy-1,1-binaphthalene molecular structure lightbox
CAS RN: 117745-41-2

(S)-6,6-Dibromo-2,2-dimethoxy-1,1-binaphthalene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg In stock Shanghai Inquiry
Batchno.20250920 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251221 1g In stock Shanghai Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
  • Product code: SSC-017604
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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: ≥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 117745-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

117745-41-2 / 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

DTXSID90383177 | 1,1'-Binaphthalene, 6,6'-dibromo-2,2'-dimethoxy- | RefChem:212247

Standard CAS: 117745-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117745-41-2
Multi CAS
Yes
Molecular Formula
C22H16Br2O2
Molecular Weight
472.200000
Exact Mass
471.949660
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)Br)C3=C(C=CC4=C3C=CC(=C4)Br)OC
InChI
InChI=1S/C22H16Br2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,1-2H3
InChIKey
UOJOTOKUVNPQNZ-UHFFFAOYSA-N
Synonyms
DTXSID90383177 1,1'-Binaphthalene, 6,6'-dibromo-2,2'-dimethoxy- RefChem:212247 DTXCID50334201 (S)-6,6'-Dibromo-2,2'-dimethoxy-1,1'-binaphthalene

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
115.39
TPSA
18.46

LogP / Solubility

WLOGP
7.2
MLOGP
6.37
XLogP3
7.4
Consensus LogP
6.99
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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