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CAS 1334177-95-5 NHS-PEG4-SPDP molecular structure lightbox
CAS RN: 1334177-95-5

NHS-PEG4-SPDP

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100mg In stock Shanghai Inquiry
Batchno.20250531 250mg In stock Shanghai Inquiry
Batchno.20260323 25mg In stock Shanghai Inquiry
Batchno.20250827 50mg In stock Shanghai Inquiry
  • Product code: SSC-040144
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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: ＞97%
  • 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 1334177-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1334177-95-5 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1334177-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334177-95-5
Multi CAS
No
Molecular Formula
C23H33N3O9S2
Molecular Weight
559.700000
Exact Mass
559.165822
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C23H33N3O9S2/c27-19(7-18-36-37-20-3-1-2-8-25-20)24-9-11-32-13-15-34-17-16-33-14-12-31-10-6-23(30)35-26-21(28)4-5-22(26)29/h1-3,8H,4-7,9-18H2,(H,24,27)
InChIKey
QTVBGVZVUCIFAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
21
H-bond acceptors
12
H-bond donors
1
Molar refractivity
135.25
TPSA
142.59

LogP / Solubility

WLOGP
1.39
MLOGP
1.27
XLogP3
-0.7
Consensus LogP
0.65
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
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)
-5.15

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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