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CAS 1089281-86-6 5-BroMo-4-Methyl-2-nitroanisole molecular structure lightbox
CAS RN: 1089281-86-6

5-BroMo-4-Methyl-2-nitroanisole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010124
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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: 1g, 5g, 0.25g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 1089281-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

1089281-86-6 / 1-bromo-5-methoxy-2-methyl-4-nitrobenzene

5-Bromo-4-methyl-2-nitroanisole | 1-bromo-5-methoxy-2-methyl-4-nitrobenzene | MFCD20482626

Standard CAS: 1089281-86-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089281-86-6
Multi CAS
Yes
Molecular Formula
C8H8BrNO3
Molecular Weight
246.060000
Exact Mass
244.968760
SMILES
CC1=CC(=C(C=C1Br)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H8BrNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3
InChIKey
RSQRVVVHNGPSGG-UHFFFAOYSA-N
Synonyms
5-Bromo-4-methyl-2-nitroanisole 1-bromo-5-methoxy-2-methyl-4-nitrobenzene MFCD20482626 1-bromo-5-methoxy-2-methyl-4-nitro-benzene SCHEMBL310970

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.09
TPSA
52.37

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.32

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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