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CAS 1393793-79-7 2-(2-Bromo-5-methoxyphenyl)naphthalene molecular structure lightbox
CAS RN: 1393793-79-7

2-(2-Bromo-5-methoxyphenyl)naphthalene

  • Product code: SSC-049954
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 5g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1393793-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1393793-79-7 / 2-(2-bromo-5-methoxyphenyl)naphthalene

Standard CAS: 1393793-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393793-79-7
Multi CAS
No
Molecular Formula
C17H13BrO
Molecular Weight
313.200000
Exact Mass
312.014980
SMILES
COC1=CC(=C(C=C1)Br)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H13BrO/c1-19-15-8-9-17(18)16(11-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKey
BMODPBBEJMZHOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
83.64
TPSA
9.23

LogP / Solubility

WLOGP
5.28
MLOGP
4.66
XLogP3
5.5
Consensus LogP
5.15
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
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)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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