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CAS 1253286-56-4 Biotin-PEG3-NHS ester molecular structure lightbox
CAS RN: 1253286-56-4

Biotin-PEG3-NHS ester

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg In stock Inquiry
Batchno.20260315 250mg In stock Inquiry
Batchno.20250708 25mg In stock Inquiry
Batchno.20260404 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg In stock Shanghai Inquiry
Batchno.20260327 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20250329 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260625 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250628 5g In stock Shanghai Inquiry
  • Product code: SSC-030044
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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, 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 1253286-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1253286-56-4 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1253286-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253286-56-4
Multi CAS
No
Molecular Formula
C23H36N4O9S
Molecular Weight
544.600000
Exact Mass
544.220300
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C23H36N4O9S/c28-18(4-2-1-3-17-22-16(15-37-17)25-23(32)26-22)24-8-10-34-12-14-35-13-11-33-9-7-21(31)36-27-19(29)5-6-20(27)30/h16-17,22H,1-15H2,(H,24,28)(H2,25,26,32)/t16-,17-,22-/m0/s1
InChIKey
QIAUJZJSFIYGMH-HOIFWPIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.78
Rotatable bonds
18
H-bond acceptors
10
H-bond donors
3
Molar refractivity
131.22
TPSA
161.6

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.07
XLogP3
-1.4
Consensus LogP
-0.53
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.13

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
5.5

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