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CAS 1391194-45-8 5-(2-cyclopropyl-2-oxo-1-phenylethyl)-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-yl acetate molecular structure lightbox
CAS RN: 1391194-45-8

5-(2-cyclopropyl-2-oxo-1-phenylethyl)-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-yl acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-049322
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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: 0.1g
  • 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 1391194-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1391194-45-8 / [5-(2-cyclopropyl-2-oxo-1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

Standard CAS: 1391194-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391194-45-8
Multi CAS
No
Molecular Formula
C20H21NO3S
Molecular Weight
355.500000
Exact Mass
355.124215
SMILES
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3)C(=O)C4CC4
InChI
InChI=1S/C20H21NO3S/c1-13(22)24-18-11-16-12-21(10-9-17(16)25-18)19(20(23)15-7-8-15)14-5-3-2-4-6-14/h2-6,11,15,19H,7-10,12H2,1H3
InChIKey
OPKDRZXNRYIANV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
96.66
TPSA
46.61

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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