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CAS 1864003-19-9 tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1864003-19-9

tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 100mg Out of stock 1 business days Inquiry
Batchno.20260410 100mg In stock Shanghai Inquiry
Batchno.20250825 1g In stock Shanghai Inquiry
Batchno.20250208 250mg In stock Shanghai Inquiry
  • Product code: SSC-086465
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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 1864003-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1864003-19-9 / tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate

Standard CAS: 1864003-19-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1864003-19-9
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)OC)O
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-5-7(12)8(6-11)14-4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
XAJCELXHUNUFBB-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.61
TPSA
59

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.61

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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