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CAS 1238575-77-3 Biotinyl-AEEA molecular structure lightbox
CAS RN: 1238575-77-3

Biotinyl-AEEA

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250613 100mg In stock Shanghai Inquiry
Batchno.20250325 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250820 1g In stock Shanghai Inquiry
Batchno.20250605 250mg In stock Shanghai Inquiry
Batchno.20251106 5g In stock Shanghai Inquiry
  • Product code: SSC-027511
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1238575-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry

1238575-77-3 / 2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]acetic acid

Standard CAS: 1238575-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1238575-77-3
Multi CAS
No
Molecular Formula
C16H27N3O6S
Molecular Weight
389.500000
Exact Mass
389.162057
SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCC(=O)O)NC(=O)N2
InChI
InChI=1S/C16H27N3O6S/c20-13(17-5-6-24-7-8-25-9-14(21)22)4-2-1-3-12-15-11(10-26-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKey
REJSWUMAQDFRDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
96.24
TPSA
125.99

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.02
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.13

Drug-likeness / Medicinal Chemistry

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

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