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CAS 1261581-85-4 2-broMo-6-MethoxybenzaMide molecular structure lightbox
CAS RN: 1261581-85-4

2-broMo-6-MethoxybenzaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-032655
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261581-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1261581-85-4 / 2-bromo-6-methoxybenzamide

Standard CAS: 1261581-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261581-85-4
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
COC1=C(C(=CC=C1)Br)C(=O)N
InChI
InChI=1S/C8H8BrNO2/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
RJASMINSPMLOQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.21
TPSA
52.32

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
0.7
Consensus LogP
1.21
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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