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CAS 717119-80-7 1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-, (3aS,4S,6aR)- molecular structure lightbox
CAS RN: 717119-80-7

1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-, (3aS,4S,6aR)-

Product Availability

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 100mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100mg In stock Shanghai Inquiry
Batchno.20250618 1g In stock Shanghai Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
Batchno.20260226 5g In stock Shanghai Inquiry
  • Product code: SSC-181298
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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: ＞97%
  • 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 717119-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

717119-80-7 / N-[2-(2-hydroxyethoxy)ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Standard CAS: 717119-80-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
717119-80-7
Multi CAS
Yes
Molecular Formula
C14H25N3O4S
Molecular Weight
331.430000
Exact Mass
331.156577
InChI
InChI=1S/C14H25N3O4S/c18-6-8-21-7-5-15-12(19)4-2-1-3-11-13-10(9-22-11)16-14(20)17-13/h10-11,13,18H,1-9H2,(H,15,19)(H2,16,17,20)/t10-,11-,13-/m0/s1
InChIKey
MWHYGWKFNDLVJC-GVXVVHGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
84.87
TPSA
99.69

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.13
XLogP3
-0.7
Consensus LogP
-0.33
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-4.86

Drug-likeness / Medicinal Chemistry

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

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