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CAS 1330286-50-4 (3S,7aR)-3-(trichloroMethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one molecular structure lightbox
CAS RN: 1330286-50-4

(3S,7aR)-3-(trichloroMethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 100mg Out of stock Inquiry
Batchno.20251106 1g Out of stock 5-7 business days Inquiry
Batchno.20250907 1g Out of stock Inquiry
Batchno.20250223 250mg In stock Shanghai Inquiry
Batchno.20251011 250mg Out of stock Inquiry
  • Product code: SSC-039690
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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 1330286-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1330286-50-4 / (3S,7aR)-3-(trichloromethyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one

Standard CAS: 1330286-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330286-50-4
Multi CAS
No
Molecular Formula
C7H8Cl3NO2
Molecular Weight
244.500000
Exact Mass
242.962062
SMILES
C1C[C@@H]2C(=O)O[C@H](N2C1)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H8Cl3NO2/c8-7(9,10)6-11-3-1-2-4(11)5(12)13-6/h4,6H,1-3H2/t4-,6+/m1/s1
InChIKey
GWQBXRYSVSZLSL-XINAWCOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.86
H-bond acceptors
3
Molar refractivity
49.9
TPSA
29.54

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2.5
Consensus LogP
1.9
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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