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CAS 1393330-33-0 Bromo-PEG1-Acid molecular structure lightbox
CAS RN: 1393330-33-0

Bromo-PEG1-Acid

  • Product code: SSC-049781
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1393330-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

1393330-33-0 / 3-(2-bromoethoxy)propanoic acid

Standard CAS: 1393330-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393330-33-0
Multi CAS
No
Molecular Formula
C5H9BrO3
Molecular Weight
197.030000
Exact Mass
195.973510
SMILES
C(COCCBr)C(=O)O
InChI
InChI=1S/C5H9BrO3/c6-2-4-9-3-1-5(7)8/h1-4H2,(H,7,8)
InChIKey
REBYHCQUFPLTTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.87
TPSA
46.53

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.3
Consensus LogP
0.65
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

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