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CAS 1191079-83-0 Amino-PEG9-acid molecular structure lightbox
CAS RN: 1191079-83-0

Amino-PEG9-acid

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260329 1g In stock Inquiry
Batchno.20260619 250mg In stock Inquiry
  • Product code: SSC-019598
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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 1191079-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1191079-83-0 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Amino-PEG9-acid | 1-Amino-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oic acid | Amino-PEG9-COOH

Standard CAS: 1191079-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1191079-83-0
Multi CAS
No
Molecular Formula
C21H43NO11
Molecular Weight
485.600000
Exact Mass
485.283611
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C21H43NO11/c22-2-4-26-6-8-28-10-12-30-14-16-32-18-20-33-19-17-31-15-13-29-11-9-27-7-5-25-3-1-21(23)24/h1-20,22H2,(H,23,24)
InChIKey
ZYPBFSLIVZGGED-UHFFFAOYSA-N
Synonyms
Amino-PEG9-acid 1-Amino-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oic acid Amino-PEG9-COOH NH2-PEG9-COOH MFCD26127809

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.95
Rotatable bonds
29
H-bond acceptors
11
H-bond donors
2
Molar refractivity
118.68
TPSA
146.39

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.34
XLogP3
-4.8
Consensus LogP
-1.86
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly 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)
-5.99

Drug-likeness / Medicinal Chemistry

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

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