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CAS 114676-93-6 (2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine molecular structure lightbox
CAS RN: 114676-93-6

(2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 100mg In stock Shanghai Inquiry
Batchno.20251028 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250713 1g Out of stock Inquiry
Batchno.20260630 250mg In stock Shanghai Inquiry
Batchno.20250227 5g Out of stock Inquiry
  • Product code: SSC-014383
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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: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 114676-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

114676-93-6 / tert-butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate | DTXSID80556136 | RefChem:383618

Standard CAS: 114676-93-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114676-93-6
Multi CAS
Yes
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC1CC(CN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
BXZADLGAYWRZCR-HTQZYQBOSA-N
Synonyms
tert-butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate DTXSID80556136 RefChem:383618 DTXCID80506919 tert-Butyl4-hydroxy-2-methylpyrrolidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.03
TPSA
49.77

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.97

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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