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CAS 2055016-25-4 m-PEG9-phosphonic acid molecular structure lightbox
CAS RN: 2055016-25-4

m-PEG9-phosphonic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 5mg / 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-096645
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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 2055016-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

2055016-25-4 / 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid

Standard CAS: 2055016-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055016-25-4
Multi CAS
No
Molecular Formula
C19H41O12P
Molecular Weight
492.500000
Exact Mass
492.233564
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(O)O
InChI
InChI=1S/C19H41O12P/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-17-31-18-19-32(20,21)22/h2-19H2,1H3,(H2,20,21,22)
InChIKey
UEQSLJQFVIWCCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
10
H-bond donors
2
Molar refractivity
115.34
TPSA
140.6

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.01
XLogP3
-2.9
Consensus LogP
-0.99
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble

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)
-5.76

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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