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CAS 2830-53-7 1-(BENZYLOXY)-2-BROMO-4-METHYLBENZENE molecular structure lightbox
CAS RN: 2830-53-7

1-(BENZYLOXY)-2-BROMO-4-METHYLBENZENE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250423 1g In stock Inquiry
Batchno.20260209 250mg In stock Inquiry
Batchno.20250802 25g In stock Inquiry
Batchno.20250726 5g In stock Inquiry
  • Product code: SSC-129349
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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: 5g
  • 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 2830-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2830-53-7 / 2-bromo-4-methyl-1-phenylmethoxybenzene

Standard CAS: 2830-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2830-53-7
Multi CAS
No
Molecular Formula
C14H13BrO
Molecular Weight
277.160000
Exact Mass
276.014980
SMILES
CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Br
InChI
InChI=1S/C14H13BrO/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
VKHZSLPJRBZFCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
69.65
TPSA
9.23

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.4
Consensus LogP
4.19
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

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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