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CAS 1807539-08-7 Bis-PEG4-sulfonic acid molecular structure lightbox
CAS RN: 1807539-08-7

Bis-PEG4-sulfonic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 1g Out of stock 15 business days Inquiry
  • Product code: SSC-082004
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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: 0.25g
  • 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 1807539-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry

1807539-08-7 / 2-[2-[2-[2-(2-sulfoethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonic acid

Standard CAS: 1807539-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807539-08-7
Multi CAS
No
Molecular Formula
C10H22O10S2
Molecular Weight
366.400000
Exact Mass
366.065439
SMILES
C(COCCOCCS(=O)(=O)O)OCCOCCS(=O)(=O)O
InChI
InChI=1S/C10H22O10S2/c11-21(12,13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-22(14,15)16/h1-10H2,(H,11,12,13)(H,14,15,16)
InChIKey
URCFPXZEPHPAIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
2
Molar refractivity
76.11
TPSA
145.66

LogP / Solubility

WLOGP
-1.17
MLOGP
-1.01
XLogP3
-2.6
Consensus LogP
-1.59
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-5.79

Drug-likeness / Medicinal Chemistry

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

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