CAS 17903-89-8 4-BENZYLOXY-3-NITROBENZOIC ACID molecular structure

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CAS RN: 17903-89-8

4-BENZYLOXY-3-NITROBENZOIC ACID

Product code: SSC-079750

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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, 10g, 5g, 1g
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 17903-89-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Hong Kong	Inquiry
0.25g	≥95%	5 In Stock	Beijing	Inquiry
10g	≥95%	3 In Stock	Shenzhen	Inquiry
5g	≥95%	2 In Stock	Shenzhen	Inquiry
1g	≥95%	1 In Stock	Hong Kong	Inquiry

17903-89-8 / 3-nitro-4-phenylmethoxybenzoic acid

Standard CAS: 17903-89-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

17903-89-8

Multi CAS

Molecular Formula

C14H11NO5

Molecular Weight

273.240000

Exact Mass

273.063722

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c16-14(17)11-6-7-13(12(8-11)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)

InChIKey

ZPGYWCMZSUFFFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.07

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

70.83

TPSA

89.67

LogP / Solubility

WLOGP

2.87

MLOGP

2.54

XLogP3

2.7

Consensus LogP

2.7

Log S (ESOL)

-3.46

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.87

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.42

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.35

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 17903-89-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 17903-89-8 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

3-nitro-4-phenylmethoxybenzoic acid

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.