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CAS 7398-42-7 4-(Bromomethyl)phenylaceticacidphenacylester molecular structure lightbox
CAS RN: 7398-42-7

4-(Bromomethyl)phenylaceticacidphenacylester

  • Product code: SSC-183400
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7398-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 4 In Stock Shenzhen Inquiry

7398-42-7 / methyl 2-[4-(bromomethyl)phenyl]acetate

Standard CAS: 7398-42-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7398-42-7
Multi CAS
Yes
Molecular Formula
C10H11BRO2
Molecular Weight
243.100000
Exact Mass
241.994240
InChI
InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
APXOMRFLJBRHNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.79
TPSA
26.3

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.57

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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