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CAS 1085938-09-5 Biotin-PEG6-azide molecular structure lightbox
CAS RN: 1085938-09-5

Biotin-PEG6-azide

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 100mg In stock Shanghai Inquiry
Batchno.20250704 1g In stock Shanghai Inquiry
Batchno.20250902 250mg In stock Shanghai Inquiry
  • Product code: SSC-009842
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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 1085938-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1085938-09-5 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

Biotin-PEG6-azide | Biotin-PEG6-CH2CH2N3 | MFCD31693707

Standard CAS: 1085938-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085938-09-5
Multi CAS
Yes
Molecular Formula
C24H44N6O8S
Molecular Weight
576.700000
Exact Mass
576.294134
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C24H44N6O8S/c25-30-27-6-8-34-10-12-36-14-16-38-18-17-37-15-13-35-11-9-33-7-5-26-22(31)4-2-1-3-21-23-20(19-39-21)28-24(32)29-23/h20-21,23H,1-19H2,(H,26,31)(H2,28,29,32)/t20-,21-,23-/m0/s1
InChIKey
WTVVCWJIXLJVCQ-FUDKSRODSA-N
Synonyms
Biotin-PEG6-azide Biotin-PEG6-CH2CH2N3 MFCD31693707 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide orb1307516

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.92
Rotatable bonds
26
H-bond acceptors
10
H-bond donors
3
Molar refractivity
145.89
TPSA
174.37

LogP / Solubility

WLOGP
1.24
MLOGP
1.13
XLogP3
0.1
Consensus LogP
0.82
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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