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CAS 1818294-33-5 SPDP-PEG6-acid molecular structure lightbox
CAS RN: 1818294-33-5

SPDP-PEG6-acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-082645
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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 1818294-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1818294-33-5 / 3-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1818294-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818294-33-5
Multi CAS
No
Molecular Formula
C23H38N2O9S2
Molecular Weight
550.700000
Exact Mass
550.201873
SMILES
C1=CC=NC(=C1)SSCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C23H38N2O9S2/c26-21(5-20-35-36-22-3-1-2-6-25-22)24-7-9-30-11-13-32-15-17-34-19-18-33-16-14-31-12-10-29-8-4-23(27)28/h1-3,6H,4-5,7-20H2,(H,24,26)(H,27,28)
InChIKey
FVYCUTAHKAPGJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
26
H-bond acceptors
11
H-bond donors
2
Molar refractivity
137.35
TPSA
134.67

LogP / Solubility

WLOGP
1.9
MLOGP
1.72
XLogP3
-0.4
Consensus LogP
1.07
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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