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CAS 251458-15-8 Methyl 2-(3-broMophenyl)-2-Methylpropanoate molecular structure lightbox
CAS RN: 251458-15-8

Methyl 2-(3-broMophenyl)-2-Methylpropanoate

  • Product code: SSC-120749
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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: 1g, 5g, 10g, 0.25g, 0.1g, 25g
  • 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 251458-15-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 3 In Stock Beijing Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Beijing Inquiry

251458-15-8 / methyl 2-(3-bromophenyl)-2-methylpropanoate

Standard CAS: 251458-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251458-15-8
Multi CAS
No
Molecular Formula
C11H13BrO2
Molecular Weight
257.120000
Exact Mass
256.009890
SMILES
CC(C)(C1=CC(=CC=C1)Br)C(=O)OC
InChI
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChIKey
ZTBCOZQPDZZCJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.18
TPSA
26.3

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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