CAS 2230200-72-1 Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester molecular structure

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CAS RN: 2230200-72-1

Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250826	100mg / 250mg	Out of stock	1 business days	Inquiry

Product code: SSC-108592

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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, 0.25g, 1g, 5g, 10g, 25g
Available purity: ≥95%
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 2230200-72-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Shenzhen	Inquiry
0.25g	≥95%	5 In Stock	Hong Kong	Inquiry
1g	≥95%	5 In Stock	Beijing	Inquiry
5g	≥95%	5 In Stock	Shanghai	Inquiry
10g	≥95%	5 In Stock	Shanghai	Inquiry
25g	≥95%	5 In Stock	Shanghai	Inquiry

2230200-72-1 / methyl 4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate

Standard CAS: 2230200-72-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

2230200-72-1

Multi CAS

Molecular Formula

C12H14N2O5

Molecular Weight

266.250000

Exact Mass

266.090272

SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC[C@@H]2CCO2

InChI

InChI=1S/C12H14N2O5/c1-18-12(15)8-2-3-11(14(16)17)10(6-8)13-7-9-4-5-19-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1

InChIKey

HTYWVEUBCLGQES-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.42

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

67.28

TPSA

90.7

LogP / Solubility

WLOGP

1.58

MLOGP

1.4

XLogP3

2.2

Consensus LogP

1.73

Log S (ESOL)

-2.39

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.89

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.3

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.22

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

Applications of CAS 2230200-72-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 2230200-72-1 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.