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CAS 1163732-89-5 Biotin-PEG5-azide molecular structure lightbox
CAS RN: 1163732-89-5

Biotin-PEG5-azide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016437
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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 1163732-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1163732-89-5 / 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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

Biotin-PEG5-azide | Biotin-PEG5-N3 | (+)-Biotin-PEG5-CH2CH2N3

Standard CAS: 1163732-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1163732-89-5
Multi CAS
Yes
Molecular Formula
C22H40N6O7S
Molecular Weight
532.700000
Exact Mass
532.267919
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C22H40N6O7S/c23-28-25-6-8-32-10-12-34-14-16-35-15-13-33-11-9-31-7-5-24-20(29)4-2-1-3-19-21-18(17-36-19)26-22(30)27-21/h18-19,21H,1-17H2,(H,24,29)(H2,26,27,30)/t18-,19-,21-/m0/s1
InChIKey
MKXKDMBFPMTVAW-ZJOUEHCJSA-N
Synonyms
Biotin-PEG5-azide Biotin-PEG5-N3 (+)-Biotin-PEG5-CH2CH2N3 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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide Biotin-PEG5-CH2CH2N3

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.91
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
3
Molar refractivity
135.08
TPSA
165.14

LogP / Solubility

WLOGP
1.22
MLOGP
1.12
XLogP3
0.3
Consensus LogP
0.88
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.9
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)
-5.1

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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