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CAS 1608140-48-2 endo-BCN-PEG8-NHS ester molecular structure lightbox
CAS RN: 1608140-48-2

endo-BCN-PEG8-NHS ester

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 100mg Out of stock Inquiry
Batchno.20260217 10mg In stock Shanghai Inquiry
Batchno.20260107 25mg In stock Shanghai Inquiry
Batchno.20250308 50mg Out of stock Inquiry
  • Product code: SSC-068578
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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: 0.025g
  • 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 1608140-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Shenzhen Inquiry

1608140-48-2 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1608140-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1608140-48-2
Multi CAS
No
Molecular Formula
C34H54N2O14
Molecular Weight
714.800000
Exact Mass
714.357504
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1
InChI
InChI=1S/C34H54N2O14/c37-31-7-8-32(38)36(31)50-33(39)9-11-41-13-15-43-17-19-45-21-23-47-25-26-48-24-22-46-20-18-44-16-14-42-12-10-35-34(40)49-27-30-28-5-3-1-2-4-6-29(28)30/h28-30H,3-27H2,(H,35,40)/t28-,29+,30?
InChIKey
GQCGVDZQAWQNHI-BWMKXQIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.82
Rotatable bonds
30
H-bond acceptors
14
H-bond donors
1
Molar refractivity
174.41
TPSA
175.85

LogP / Solubility

WLOGP
1.28
MLOGP
1.19
XLogP3
0.1
Consensus LogP
0.86
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
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)
-6.17

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
5

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