[email protected]
CAS 14594-25-3 ethyl 5-broMo-4-oxopentanoate molecular structure lightbox
CAS RN: 14594-25-3

ethyl 5-broMo-4-oxopentanoate

  • Product code: SSC-057106
GET A QUOTE
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, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 14594-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry

14594-25-3 / ethyl 5-bromo-4-oxopentanoate

Standard CAS: 14594-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14594-25-3
Multi CAS
No
Molecular Formula
C7H11BrO3
Molecular Weight
223.060000
Exact Mass
221.989160
SMILES
CCOC(=O)CCC(=O)CBr
InChI
InChI=1S/C7H11BrO3/c1-2-11-7(10)4-3-6(9)5-8/h2-5H2,1H3
InChIKey
HZTCCISWRZQSRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
44.67
TPSA
43.37

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-3.16

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

Customers Also Viewed

Get In Touch

Contact Us