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CAS 1104083-46-6 H2N-PEG6-CH2COOH molecular structure lightbox
CAS RN: 1104083-46-6

H2N-PEG6-CH2COOH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 1g Out of stock 15 business days Inquiry
  • Product code: SSC-011497
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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: 1g
  • Available purity: ≥95%
  • 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 1104083-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1104083-46-6 / 2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

H2N-PEG6-CH2COOH | Amino-PEG6-acetic acid | MFCD31656959

Standard CAS: 1104083-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1104083-46-6
Multi CAS
No
Molecular Formula
C14H29NO8
Molecular Weight
339.380000
Exact Mass
339.189317
SMILES
C(COCCOCCOCCOCCOCCOCC(=O)O)N
InChI
InChI=1S/C14H29NO8/c15-1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14(16)17/h1-13,15H2,(H,16,17)
InChIKey
JMFLUGZQOTYAKZ-UHFFFAOYSA-N
Synonyms
H2N-PEG6-CH2COOH Amino-PEG6-acetic acid MFCD31656959 H2N-PEG6-CH2-COOH 2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.93
Rotatable bonds
19
H-bond acceptors
8
H-bond donors
2
Molar refractivity
81.6
TPSA
118.7

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.75
XLogP3
-4.3
Consensus LogP
-1.97
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-5.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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