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CAS 91229-91-3 tert-Butyl N-(tert-Butoxycarbonyl)-L-pyroglutamate molecular structure lightbox
CAS RN: 91229-91-3

tert-Butyl N-(tert-Butoxycarbonyl)-L-pyroglutamate

  • Product code: SSC-204107
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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, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 91229-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 4 In Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

91229-91-3 / ditert-butyl 5-oxopyrrolidine-1,2-dicarboxylate

Standard CAS: 91229-91-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91229-91-3
Multi CAS
Yes
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKey
INVKHBRFFCQICU-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
71.95
TPSA
72.91

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-2.86

Drug-likeness / Medicinal Chemistry

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

Applications of CAS 91229-91-3

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 91229-91-3 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Nameditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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