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CAS 648904-47-6 2-Benzyloxy-1-bromo-6-methoxynaphthalene molecular structure lightbox
CAS RN: 648904-47-6

2-Benzyloxy-1-bromo-6-methoxynaphthalene

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS648904-47-6
  • Purity/Analytical Methods: >99.0%
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648904-47-6 / 1-bromo-6-methoxy-2-phenylmethoxynaphthalene

Standard CAS: 648904-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
648904-47-6
Multi CAS
No
Molecular Formula
C18H15BRO2
Molecular Weight
343.200000
Exact Mass
342.025540
InChI
InChI=1S/C18H15BrO2/c1-20-15-8-9-16-14(11-15)7-10-17(18(16)19)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKey
QRONLZOWBNLXQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
88.97
TPSA
18.46

LogP / Solubility

WLOGP
5.19
MLOGP
4.58
XLogP3
5.3
Consensus LogP
5.02
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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