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CAS 1189560-96-0 Biotin-PEG3-acetic Acid molecular structure lightbox
CAS RN: 1189560-96-0

Biotin-PEG3-acetic Acid

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100mg In stock Inquiry
Batchno.20250202 250mg In stock Inquiry
Batchno.20250511 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-019175
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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 1189560-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1189560-96-0 / 2-[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]acetic acid

Biotin-PEG3-CH2COOH | Biotin-PEG3-acetic Acid | 2-[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]acetic acid

Standard CAS: 1189560-96-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189560-96-0
Multi CAS
Yes
Molecular Formula
C18H31N3O7S
Molecular Weight
433.500000
Exact Mass
433.188272
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCC(=O)O)NC(=O)N2
InChI
InChI=1S/C18H31N3O7S/c22-15(19-5-6-26-7-8-27-9-10-28-11-16(23)24)4-2-1-3-14-17-13(12-29-14)20-18(25)21-17/h13-14,17H,1-12H2,(H,19,22)(H,23,24)(H2,20,21,25)/t13-,14-,17-/m0/s1
InChIKey
TZOKSJSRBNCFAS-ZQIUZPCESA-N
Synonyms
Biotin-PEG3-CH2COOH Biotin-PEG3-acetic Acid 2-[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]acetic acid MFCD30749255 11-(Biotinamido)-3,6,9-trioxaundecanoic Acid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.83
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
4
Molar refractivity
107.06
TPSA
135.22

LogP / Solubility

WLOGP
-0.04
XLogP3
-0.8
Consensus LogP
-0.28
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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)
-5.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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