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CAS 1620285-48-4 (R)-3,3′-Bis[[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]-1,1′-bi-2-naphthol molecular structure lightbox
CAS RN: 1620285-48-4

(R)-3,3′-Bis[[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]-1,1′-bi-2-naphthol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-069536
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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: ≥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 1620285-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1620285-48-4 / 3-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]-1-[3-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

Standard CAS: 1620285-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1620285-48-4
Multi CAS
No
Molecular Formula
C66H54N4O2
Molecular Weight
935.200000
Exact Mass
934.424677
SMILES
C1C2=CC=CC=C2CN1[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N=CC5=CC6=CC=CC=C6C(=C5O)C7=C(C(=CC8=CC=CC=C87)C=N[C@H](C9=CC=CC=C9)[C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1)O
InChI
InChI=1S/C66H54N4O2/c71-65-55(39-67-61(45-21-5-1-6-22-45)63(47-25-9-3-10-26-47)69-41-51-31-13-14-32-52(51)42-69)37-49-29-17-19-35-57(49)59(65)60-58-36-20-18-30-50(58)38-56(66(60)72)40-68-62(46-23-7-2-8-24-46)64(48-27-11-4-12-28-48)70-43-53-33-15-16-34-54(53)44-70/h1-40,61-64,71-72H,41-44H2/t61-,62-,63-,64-/m1/s1
InChIKey
CFKVCRKEUHNDTA-FDKJUCSVSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
56
Fraction Csp3
0.12
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
293.52
TPSA
71.66

LogP / Solubility

WLOGP
14.91
MLOGP
13.21
XLogP3
13.1
Consensus LogP
13.74
Log S (ESOL)
-14.75
Class (ESOL)
Insoluble
Log S (Ali)
-17.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.67
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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