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CAS 173323-22-3 (2-(2-(2-((2-bromoacetyl)amino)ethoxy)ethoxy)ethoxy)acetic acid molecular structure lightbox
CAS RN: 173323-22-3

(2-(2-(2-((2-bromoacetyl)amino)ethoxy)ethoxy)ethoxy)acetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS173323-22-3
  • Purity/Analytical Methods: >99.0%
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173323-22-3 / 2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]acetic acid

Standard CAS: 173323-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173323-22-3
Multi CAS
No
Molecular Formula
C10H18BrNO6
Molecular Weight
328.160000
Exact Mass
327.031750
SMILES
C(COCCOCCOCC(=O)O)NC(=O)CBr
InChI
InChI=1S/C10H18BrNO6/c11-7-9(13)12-1-2-16-3-4-17-5-6-18-8-10(14)15/h1-8H2,(H,12,13)(H,14,15)
InChIKey
YTQSICXMSXKITM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.9
TPSA
94.09

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.31
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-4.98

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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