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CAS 1148110-16-0 1-Bromo-4-(bromomethyl)-2-methoxybenzene molecular structure lightbox
CAS RN: 1148110-16-0

1-Bromo-4-(bromomethyl)-2-methoxybenzene

  • Product code: SSC-014541
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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, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1148110-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

1148110-16-0 / 1-bromo-4-(bromomethyl)-2-methoxybenzene

1-bromo-4-(bromomethyl)-2-methoxybenzene | MFCD17169084 | Benzene, 1-bromo-4-(bromomethyl)-2-methoxy-

Standard CAS: 1148110-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1148110-16-0
Multi CAS
No
Molecular Formula
C8H8Br2O
Molecular Weight
279.960000
Exact Mass
279.892140
SMILES
COC1=C(C=CC(=C1)CBr)Br
InChI
InChI=1S/C8H8Br2O/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKey
ZKSAFWBHFTUHMZ-UHFFFAOYSA-N
Synonyms
1-bromo-4-(bromomethyl)-2-methoxybenzene MFCD17169084 Benzene, 1-bromo-4-(bromomethyl)-2-methoxy- 4-Bromo-3-methoxybenzyl bromide 2-Bromo-5-(bromomethyl)anisole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.33
TPSA
9.23

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.1
Consensus LogP
3.14
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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