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CAS 252881-76-8 Biotin-PEG3-propionic acid molecular structure lightbox
CAS RN: 252881-76-8

Biotin-PEG3-propionic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260128 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251026 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250204 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-121114
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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 252881-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

252881-76-8 / 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]propanoic acid

Standard CAS: 252881-76-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252881-76-8
Multi CAS
No
Molecular Formula
C19H33N3O7S
Molecular Weight
447.500000
Exact Mass
447.203922
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C19H33N3O7S/c23-16(4-2-1-3-15-18-14(13-30-15)21-19(26)22-18)20-6-8-28-10-12-29-11-9-27-7-5-17(24)25/h14-15,18H,1-13H2,(H,20,23)(H,24,25)(H2,21,22,26)/t14-,15-,18-/m0/s1
InChIKey
HRGPPBXEZFBGDJ-MPGHIAIKSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.84
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
4
Molar refractivity
111.68
TPSA
135.22

LogP / Solubility

WLOGP
0.35
MLOGP
0.34
XLogP3
-0.9
Consensus LogP
-0.07
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.9
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)
-5.2

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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