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CAS 1354691-47-6 [(3S)-3-hydroxypyrrolidin-1-yl](oxan-4-yl)Methanone molecular structure lightbox
CAS RN: 1354691-47-6

[(3S)-3-hydroxypyrrolidin-1-yl](oxan-4-yl)Methanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-043798
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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 1354691-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1354691-47-6 / [(3S)-3-hydroxypyrrolidin-1-yl]-(oxan-4-yl)methanone

Standard CAS: 1354691-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354691-47-6
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
C1CN(C[C@H]1O)C(=O)C2CCOCC2
InChI
InChI=1S/C10H17NO3/c12-9-1-4-11(7-9)10(13)8-2-5-14-6-3-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKey
QLYXQTUXFAMVAL-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.75
TPSA
49.77

LogP / Solubility

WLOGP
0.01
MLOGP
0.01
XLogP3
-0.5
Consensus LogP
-0.16
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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