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CAS 92152-56-2 Benzoic acid, 4-broMo-, phenylMethyl ester molecular structure lightbox
CAS RN: 92152-56-2

Benzoic acid, 4-broMo-, phenylMethyl ester

  • Product code: SSC-205715
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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 92152-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

92152-56-2 / benzyl 4-bromobenzoate

Standard CAS: 92152-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92152-56-2
Multi CAS
No
Molecular Formula
C14H11BRO2
Molecular Weight
291.140000
Exact Mass
289.994240
InChI
InChI=1S/C14H11BrO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
CKXJOUQTHOVDON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.7
TPSA
26.3

LogP / Solubility

WLOGP
3.81
MLOGP
3.36
XLogP3
4.7
Consensus LogP
3.96
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.79

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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