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CAS 362527-61-5 Ethyl 3-broMo-4-cyanobenzoate molecular structure lightbox
CAS RN: 362527-61-5

Ethyl 3-broMo-4-cyanobenzoate

  • Product code: SSC-143426
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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: 5g, 1g, 10g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 362527-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

362527-61-5 / ethyl 3-bromo-4-cyanobenzoate

Standard CAS: 362527-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362527-61-5
Multi CAS
Yes
Molecular Formula
BC10H8O2Rn
Molecular Weight
254.080000
Exact Mass
252.973840
InChI
InChI=1S/C10H8BrNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
InChIKey
SVBBQSMUEOIQDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.81
TPSA
50.09

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.5

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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