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CAS 1801766-78-8 (3S,4S)-tert-butyl4-((R)-1,1-dimethylethylsulfinamido)-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(WXC08153) molecular structure lightbox
CAS RN: 1801766-78-8

(3S,4S)-tert-butyl4-((R)-1,1-dimethylethylsulfinamido)-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(WXC08153)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-080569
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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 1801766-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1801766-78-8 / tert-butyl (3S,4S)-4-[[(R)-tert-butylsulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

Standard CAS: 1801766-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1801766-78-8
Multi CAS
No
Molecular Formula
C18H34N2O4S
Molecular Weight
374.500000
Exact Mass
374.223929
SMILES
C[C@H]1[C@H](C2(CCN(CC2)C(=O)OC(C)(C)C)CO1)N[S@](=O)C(C)(C)C
InChI
InChI=1S/C18H34N2O4S/c1-13-14(19-25(22)17(5,6)7)18(12-23-13)8-10-20(11-9-18)15(21)24-16(2,3)4/h13-14,19H,8-12H2,1-7H3
InChIKey
ZHHCNYQSLINMTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.94
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.71
TPSA
67.87

LogP / Solubility

WLOGP
2.84
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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