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CAS 1160574-88-8 5-Bromo-4-chloro-2-iodoanisole molecular structure lightbox
CAS RN: 1160574-88-8

5-Bromo-4-chloro-2-iodoanisole

  • Product code: SSC-016177
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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: >95%
  • 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 1160574-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

1160574-88-8 / 1-bromo-2-chloro-4-iodo-5-methoxybenzene

1-Bromo-2-chloro-4-iodo-5-methoxybenzene | 5-Bromo-4-chloro-2-iodoanisole | MFCD11845928

Standard CAS: 1160574-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160574-88-8
Multi CAS
No
Molecular Formula
C7H5BrClIO
Molecular Weight
347.370000
Exact Mass
345.825700
SMILES
COC1=CC(=C(C=C1I)Cl)Br
InChI
InChI=1S/C7H5BrClIO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3
InChIKey
XJRTUQVOZQYNPO-UHFFFAOYSA-N
Synonyms
1-Bromo-2-chloro-4-iodo-5-methoxybenzene 5-Bromo-4-chloro-2-iodoanisole MFCD11845928 SCHEMBL16290544 SCHEMBL29890126

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.42
TPSA
9.23

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
3.9
Consensus LogP
3.64
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

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

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