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CAS 122709-21-1 (S)-3-BOC-4-(METHOXYMETHYLCARBAMOYL)-2,2-DIMETHYLOXAZOLIDINE molecular structure lightbox
CAS RN: 122709-21-1

(S)-3-BOC-4-(METHOXYMETHYLCARBAMOYL)-2,2-DIMETHYLOXAZOLIDINE

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251217 1g In stock Shanghai Inquiry
Batchno.20250624 250mg In stock Shanghai Inquiry
Batchno.20260304 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260209 5g Out of stock Inquiry
  • Product code: SSC-025851
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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: 5g
  • 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 122709-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

122709-21-1 / tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Standard CAS: 122709-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122709-21-1
Multi CAS
No
Molecular Formula
C13H24N2O5
Molecular Weight
288.340000
Exact Mass
288.168522
SMILES
CC1(N([C@@H](CO1)C(=O)N(C)OC)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24N2O5/c1-12(2,3)20-11(17)15-9(8-19-13(15,4)5)10(16)14(6)18-7/h9H,8H2,1-7H3/t9-/m0/s1
InChIKey
USINQMZZDNKSQW-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.67
TPSA
68.31

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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