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CAS 53413-67-5 4,5-DIMETHOXY-2-NITROBENZYL BROMIDE molecular structure lightbox
CAS RN: 53413-67-5

4,5-DIMETHOXY-2-NITROBENZYL BROMIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260303 1g In stock Inquiry
Batchno.20250725 250mg In stock Inquiry
Batchno.20260316 25g In stock Inquiry
Batchno.20251203 5g In stock Inquiry
  • Product code: SSC-160755
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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: ≥97%
  • 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 53413-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

53413-67-5 / 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene

Standard CAS: 53413-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53413-67-5
Multi CAS
No
Molecular Formula
BC9H10O4Rn
Molecular Weight
276.080000
Exact Mass
274.979320
InChI
InChI=1S/C9H10BrNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3
InChIKey
UEKFEYNZISYRRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.83
TPSA
61.6

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.62

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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