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CAS 1820705-12-1 2-(Allyloxy)-6-broMo-4-Methoxybenzyl Alcohol molecular structure lightbox
CAS RN: 1820705-12-1

2-(Allyloxy)-6-broMo-4-Methoxybenzyl Alcohol

  • Product code: SSC-082902
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1820705-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry

1820705-12-1 / (2-bromo-4-methoxy-6-prop-2-enoxyphenyl)methanol

Standard CAS: 1820705-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820705-12-1
Multi CAS
No
Molecular Formula
C11H13BrO3
Molecular Weight
273.120000
Exact Mass
272.004810
SMILES
COC1=CC(=C(C(=C1)Br)CO)OCC=C
InChI
InChI=1S/C11H13BrO3/c1-3-4-15-11-6-8(14-2)5-10(12)9(11)7-13/h3,5-6,13H,1,4,7H2,2H3
InChIKey
ZHJBJLDJODEFIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.31
TPSA
38.69

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.6

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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