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CAS 1148026-99-6 Bromo-PEG3-phosphonic acid molecular structure lightbox
CAS RN: 1148026-99-6

Bromo-PEG3-phosphonic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1148026-99-6
  • Purity/Analytical Methods: >99.0%
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1148026-99-6 / 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylphosphonic acid

Bromo-PEG3-phosphonic acid | Bromo-PEG3-C2-phosphonic acid | (2-[2-[2-(2-bromo-ethoxy)ethoxy]ethoxy]ethyl)phosphonic acid

Standard CAS: 1148026-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1148026-99-6
Multi CAS
No
Molecular Formula
C8H18BrO6P
Molecular Weight
321.100000
Exact Mass
320.002440
SMILES
C(COCCP(=O)(O)O)OCCOCCBr
InChI
InChI=1S/C8H18BrO6P/c9-1-2-13-3-4-14-5-6-15-7-8-16(10,11)12/h1-8H2,(H2,10,11,12)
InChIKey
BZNXKXDTCPHJIY-UHFFFAOYSA-N
Synonyms
Bromo-PEG3-phosphonic acid Bromo-PEG3-C2-phosphonic acid (2-[2-[2-(2-bromo-ethoxy)ethoxy]ethoxy]ethyl)phosphonic acid MFCD11982881 (2-(2-(2-(2-bromoethoxy)ethoxy)ethoxy)ethyl)phosphonic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.16
TPSA
85.22

LogP / Solubility

WLOGP
0.61
MLOGP
0.55
XLogP3
-1.3
Consensus LogP
-0.05
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25

Drug-likeness / Medicinal Chemistry

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

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