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CAS 705931-85-7 (1S)-2′-(broMoMethyl)-[1,1′-Binaphthalene]-2-carboxaldehyde molecular structure lightbox
CAS RN: 705931-85-7

(1S)-2′-(broMoMethyl)-[1,1′-Binaphthalene]-2-carboxaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251219 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS705931-85-7
  • Purity/Analytical Methods: >99.0%
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705931-85-7 / 1-[2-(bromomethyl)naphthalen-1-yl]naphthalene-2-carbaldehyde

Standard CAS: 705931-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
705931-85-7
Multi CAS
No
Molecular Formula
C22H15BRO
Molecular Weight
375.300000
Exact Mass
374.030630
InChI
InChI=1S/C22H15BrO/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12,14H,13H2
InChIKey
OPHLXGIAPKCNTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
104.91
TPSA
17.07

LogP / Solubility

WLOGP
6.37
MLOGP
5.62
XLogP3
6.1
Consensus LogP
6.03
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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