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CAS 1261677-54-6 Ethyl 2-(3-amino-4-bromophenyl)acetate molecular structure lightbox
CAS RN: 1261677-54-6

Ethyl 2-(3-amino-4-bromophenyl)acetate

  • Product code: SSC-032793
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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: ≥95%
  • Inventory rows with stock: 10
  • 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 1261677-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Beijing Inquiry

1261677-54-6 / ethyl 2-(3-amino-4-bromophenyl)acetate

Standard CAS: 1261677-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261677-54-6
Multi CAS
No
Molecular Formula
C10H12BrNO2
Molecular Weight
258.110000
Exact Mass
257.005140
SMILES
CCOC(=O)CC1=CC(=C(C=C1)Br)N
InChI
InChI=1S/C10H12BrNO2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6,12H2,1H3
InChIKey
VSRCPHBPCYIHPF-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
58.89
TPSA
52.32

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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