CAS 249736-45-6 N-[(1S)-1-(HydroxyMethyl)-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-carbaMic Acid tert-Butyl Ester molecular structure

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CAS RN: 249736-45-6

N-[(1S)-1-(HydroxyMethyl)-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-carbaMic Acid tert-Butyl Ester

Product code: SSC-120330

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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: 0.1g, 1g, 5g, 0.25g, 10g, 25g
Available purity: ≥95%
Inventory rows with stock: 5
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 249736-45-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	2 In Stock	Hong Kong	Inquiry
1g	≥95%	2 In Stock	Shenzhen	Inquiry
5g	≥95%	2 In Stock	Hong Kong	Inquiry
0.25g	≥95%	1 In Stock	Shanghai	Inquiry
10g	≥95%	1 In Stock	Beijing	Inquiry
25g	≥95%	0 Out of Stock	Beijing	Inquiry

249736-45-6 / tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamate

Standard CAS: 249736-45-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

249736-45-6

Multi CAS

Molecular Formula

C12H22N2O4

Molecular Weight

258.310000

Exact Mass

258.157957

SMILES

CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)CO

InChI

InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9(7-15)6-8-4-5-13-10(8)16/h8-9,15H,4-7H2,1-3H3,(H,13,16)(H,14,17)/t8-,9-/m0/s1

InChIKey

IASISKBRBNTMFU-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.83

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

65.98

TPSA

87.66

LogP / Solubility

WLOGP

0.4

MLOGP

0.36

XLogP3

0.1

Consensus LogP

0.29

Log S (ESOL)

-1.43

Class (ESOL)

Soluble

Log S (Ali)

-1.97

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.15

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.01

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

2.5

Applications of CAS 249736-45-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 249736-45-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

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.