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CAS 114676-69-6 N-(tert-Butoxycarbonyl)-cis-4-hydroxy-D-proline Methyl Ester molecular structure lightbox
CAS RN: 114676-69-6

N-(tert-Butoxycarbonyl)-cis-4-hydroxy-D-proline Methyl Ester

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260108 100g In stock Inquiry
Batchno.20250609 10g In stock Inquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20260321 250mg In stock Inquiry
Batchno.20251105 25g In stock Inquiry
Batchno.20250215 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260615 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
  • Product code: SSC-014380
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 1g, 1000g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114676-69-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry
1000g >97% 1 In Stock Shanghai Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

114676-69-6 / 1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate | 1-(tert-Butyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate | MFCD04115496

Standard CAS: 114676-69-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114676-69-6
Multi CAS
Yes
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)OC)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
MZMNEDXVUJLQAF-HTQZYQBOSA-N
Synonyms
1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate 1-(tert-Butyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate MFCD04115496 1-Tert-butyl2-methyl4-hydroxypyrrolidine-1,2-dicarboxylate 1-O-tert-butyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.37
TPSA
76.07

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.53
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.84

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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