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CAS 947337-17-9 (1S)-6,6′-dibromo-[1,1′-Binaphthalene]-2,2′-diamine molecular structure lightbox
CAS RN: 947337-17-9

(1S)-6,6′-dibromo-[1,1′-Binaphthalene]-2,2′-diamine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250113 100mg In stock Shanghai Inquiry
Batchno.20251230 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251210 1g In stock Shanghai Inquiry
Batchno.20250108 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS947337-17-9
  • Purity/Analytical Methods: >99.0%
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947337-17-9 / 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine

Standard CAS: 947337-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947337-17-9
Multi CAS
No
Molecular Formula
C20H14BR2N2
Molecular Weight
442.100000
Exact Mass
441.950320
InChI
InChI=1S/C20H14Br2N2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10H,23-24H2
InChIKey
ZSBNVMOCQBZNDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
111.11
TPSA
52.04

LogP / Solubility

WLOGP
6.35
MLOGP
5.62
XLogP3
6.1
Consensus LogP
6.02
Log S (ESOL)
-7.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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