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CAS 722536-73-4 7-(benzyloxy)-3-broMo-1,2-dihydronaphthalene molecular structure lightbox
CAS RN: 722536-73-4

7-(benzyloxy)-3-broMo-1,2-dihydronaphthalene

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS722536-73-4
  • Purity/Analytical Methods: >99.0%
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722536-73-4 / 3-bromo-7-phenylmethoxy-1,2-dihydronaphthalene

Standard CAS: 722536-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
722536-73-4
Multi CAS
No
Molecular Formula
C17H15BRO
Molecular Weight
315.200000
Exact Mass
314.030630
InChI
InChI=1S/C17H15BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9-11H,6,8,12H2
InChIKey
YOQXQWKWEAXKTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
82.44
TPSA
9.23

LogP / Solubility

WLOGP
4.95
MLOGP
4.37
XLogP3
4.9
Consensus LogP
4.74
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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