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CAS 29121-25-3 ethyl 2-(3-bromo-4-hydroxyphenyl)acetate molecular structure lightbox
CAS RN: 29121-25-3

ethyl 2-(3-bromo-4-hydroxyphenyl)acetate

  • Product code: SSC-131349
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 29121-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 4 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Shanghai Inquiry
10g >97% 4 In Stock Shenzhen Inquiry

29121-25-3 / ethyl 2-(3-bromo-4-hydroxyphenyl)acetate

Standard CAS: 29121-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29121-25-3
Multi CAS
No
Molecular Formula
C10H11BRO3
Molecular Weight
259.100000
Exact Mass
257.989160
InChI
InChI=1S/C10H11BrO3/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5,12H,2,6H2,1H3
InChIKey
URBNYOULFVVQQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.14
TPSA
46.53

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.4
Consensus LogP
2.22
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.7

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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