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CAS 1927-95-3 4-BROMOPHENOL ACETATE molecular structure lightbox
CAS RN: 1927-95-3

4-BROMOPHENOL ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg / 500mg Confirm by inquiry Shandong Inquiry
  • Product code: SSC-090123
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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: ≥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 1927-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

1927-95-3 / (4-bromophenyl) acetate

Standard CAS: 1927-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1927-95-3
Multi CAS
No
Molecular Formula
C8H7BrO2
Molecular Weight
215.040000
Exact Mass
213.962940
SMILES
CC(=O)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKey
XEXHCQJRVMVJMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.45
TPSA
26.3

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.8
Consensus LogP
2.09
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.35

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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