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CAS 16897-97-5 2-(2-BROMOPHENYL)ACETOPHENONE molecular structure lightbox
CAS RN: 16897-97-5

2-(2-BROMOPHENYL)ACETOPHENONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073628
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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 16897-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

16897-97-5 / 2-(2-bromophenyl)-1-phenylethanone

Standard CAS: 16897-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16897-97-5
Multi CAS
No
Molecular Formula
C14H11BrO
Molecular Weight
275.140000
Exact Mass
273.999330
SMILES
C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2Br
InChI
InChI=1S/C14H11BrO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
KJKUTYSDSVMXDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
68.62
TPSA
17.07

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
3.9
Consensus LogP
3.73
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-1.65

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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